3-Amino-4-chloro-N-(3-pyridylmethyl)benzamide - CAS 1018502-06-1
Catalog: |
BB000671 |
Product Name: |
3-Amino-4-chloro-N-(3-pyridylmethyl)benzamide |
CAS: |
1018502-06-1 |
Synonyms: |
3-amino-4-chloro-N-(3-pyridinylmethyl)benzamide; 3-amino-4-chloro-N-(pyridin-3-ylmethyl)benzamide |
IUPAC Name: | 3-amino-4-chloro-N-(pyridin-3-ylmethyl)benzamide |
Description: | 3-Amino-4-chloro-N-(3-pyridylmethyl)benzamide (CAS# 1018502-06-1) is a useful research chemical. |
Molecular Weight: | 261.71 |
Molecular Formula: | C13H12ClN3O |
Canonical SMILES: | C1=CC(=CN=C1)CNC(=O)C2=CC(=C(C=C2)Cl)N |
InChI: | InChI=1S/C13H12ClN3O/c14-11-4-3-10(6-12(11)15)13(18)17-8-9-2-1-5-16-7-9/h1-7H,8,15H2,(H,17,18) |
InChI Key: | TUTGNXCAERCAHY-UHFFFAOYSA-N |
LogP: | 3.40320 |
Publication Number | Title | Priority Date |
WO-2019149223-A1 | Benzamide compound and preparation method, use, and pharmaceutical composition thereof | 20180130 |
AU-2019214694-A1 | Benzamide compound and preparation method, use, and pharmaceutical composition thereof | 20180130 |
CA-3092600-A1 | Benzamide compound and preparation method, use, and pharmaceutical composition thereof | 20180130 |
EP-3747866-A1 | Benzamide compound and preparation method, use, and pharmaceutical composition thereof | 20180130 |
US-2021047270-A1 | Benzamide compound and preparation method, use, and pharmaceutical composition thereof | 20180130 |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.0668897 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.0668897 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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