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2,2,2-Trifluoro-N-(4-isopropyl-2-nitrophenyl)acetamide

2,2,2-Trifluoro-N-(4-isopropyl-2-nitrophenyl)acetamide - CAS 1338684-26-6

Name: 2,2,2-Trifluoro-N-(4-isopropyl-2-nitrophenyl)acetamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB007828
Product Name:	2,2,2-Trifluoro-N-(4-isopropyl-2-nitrophenyl)acetamide
CAS:	1338684-26-6
Synonyms:	2,2,2-trifluoro-N-(2-nitro-4-propan-2-ylphenyl)acetamide; 2,2,2-trifluoro-N-(2-nitro-4-propan-2-ylphenyl)acetamide

Technical Data

Patents

Computed Properties

IUPAC Name:	2,2,2-trifluoro-N-(2-nitro-4-propan-2-ylphenyl)acetamide
Description:	2,2,2-Trifluoro-N-(4-isopropyl-2-nitrophenyl)acetamide (CAS# 1338684-26-6 ) is a useful research chemical.
Molecular Weight:	276.21
Molecular Formula:	C11H11F3N2O3
Canonical SMILES:	CC(C)C1=CC(=C(C=C1)NC(=O)C(F)(F)F)[N+](=O)[O-]
InChI:	InChI=1S/C11H11F3N2O3/c1-6(2)7-3-4-8(9(5-7)16(18)19)15-10(17)11(12,13)14/h3-6H,1-2H3,(H,15,17)
InChI Key:	JCAMLYAKKPJZOJ-UHFFFAOYSA-N
LogP:	3.81520

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Publication Number	Title	Priority Date
WO-2020007938-A1	PqsR INVERSE AGONISTS	20180703
AU-2019297409-A1	PqsR inverse agonists	20180703
EP-3818045-A1	Pqsr inverse agonists	20180703
EP-2555623-A1	Flavin derivatives	20100406
JP-2013523811-A	Flavin derivatives	20100406

Complexity:	352
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	276.0721767
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	276.0721767
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4