2-Benzamidobenzoic Acid - CAS 579-93-1

Catalog:	BB029893
Product Name:	2-Benzamidobenzoic Acid
CAS:	579-93-1
Synonyms:	2-benzamidobenzoic acid; 2-benzamidobenzoic acid

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Computed Properties

IUPAC Name:	2-benzamidobenzoic acid
Description:	2-Benzamidobenzoic Acid (CAS# 579-93-1) is a useful research chemical.
Molecular Weight:	241.24
Molecular Formula:	C14H11NO3
Canonical SMILES:	C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O
InChI:	InChI=1S/C14H11NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18)
InChI Key:	WXVLIIDDWFGYCV-UHFFFAOYSA-N
Boiling Point:	341.9 ℃ at 760 mmHg
Melting Point:	183.00 °C at 760.00 mm Hg
Density:	1.334 g/cm³
Solubility:	slightly
Appearance:	White solid
MDL:	MFCD00444173
LogP:	2.71010

Publication Number	Title	Priority Date
WO-2021144475-A1	Mr1 ligands and pharmaceutical compositions for immunomodulation	20200116
WO-2021050832-A2	Methods for treating cancer using serial administration of e3 ubiquitin ligase degraders	20190912
CN-109232275-B	Preparation method of 4-nitrodiphenylamine and 4-nitrosodiphenylamine	20181026
TW-202006138-A	Use of FUBP1 inhibitors for treating hepatitis B virus infection	20180405
WO-2019193165-A1	Use of fubp1 inhibitors for treating hepatitis b virus infection	20180405

PMID	Publication Date	Title	Journal
22897946	20120915	N-Benzoyl anthranilic acid derivatives as selective inhibitors of aldo-keto reductase AKR1C3	Bioorganic & medicinal chemistry letters
21847495	20111021	Anthranilic acid-based inhibitors of phosphodiesterase: design, synthesis, and bioactive evaluation	Organic & biomolecular chemistry
21053346	20101203	Inhibitors of the salicylate synthase (MbtI) from Mycobacterium tuberculosis discovered by high-throughput screening	ChemMedChem
19540209	20091015	DSM-RX78, a new phosphodiesterase inhibitor, suppresses superoxide anion production in activated human neutrophils and attenuates hemorrhagic shock-induced lung injury in rats	Biochemical pharmacology
19703032	20090901	Disubstituted 4(3H) quinazolones: a novel class of antitumor agents	Chemical biology & drug design

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GHS Hazard Statement:	H302 (25.66%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	310
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.07389321
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	241.07389321
Rotatable Bond Count:	3
Topological Polar Surface Area:	66.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5