4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide

C23H17ClN2O — CID 74763620

IUPAC4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide
SMILESCc1ccc2nc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)ccc2c1
InChIInChI=1S/C23H17ClN2O/c1-15-5-11-21-18(13-15)8-12-22(26-21)17-3-2-4-20(14-17)25-23(27)16-6-9-19(24)10-7-16/h2-14H,1H3,(H,25,27)
InChIKeyMJVHRANIQDSZKI-UHFFFAOYSA-N
MW372.86 g/mol
LogP6.12
Rot. Bonds3

About 4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide

4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide (PubChem CID 74763620) has the molecular formula C23H17ClN2O and a molecular weight of 372.86 g/mol. Its IUPAC name is 4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide
PubChem CID74763620
Molecular FormulaC23H17ClN2O
Molecular Weight372.86 g/mol
Exact Mass372.10
IUPAC Name4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide
SMILESCc1ccc2nc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)ccc2c1
InChIInChI=1S/C23H17ClN2O/c1-15-5-11-21-18(13-15)8-12-22(26-21)17-3-2-4-20(14-17)25-23(27)16-6-9-19(24)10-7-16/h2-14H,1H3,(H,25,27)
InChIKeyMJVHRANIQDSZKI-UHFFFAOYSA-N
XLogP6.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.86
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-[4-(6-methylquinolin-2-yl)phenyl]benzamide
CID 46376177
3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide
CID 2224328
4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126230741
3-fluoro-N-(3-quinolin-2-ylphenyl)benzamide
CID 46376278
4-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532235
4-methyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121028698
[2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-methylbenzoyl)amino]benzoate
CID 126188615
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide
CID 3125064
3-chloro-N-[3-[6-[(2-methylpiperidin-1-yl)methyl]quinolin-2-yl]phenyl]benzamide
CID 147034759
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide (CID 74763620) is 4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide is Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)ccc2c1.
What is the InChIKey of 4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide?
The InChIKey is MJVHRANIQDSZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O/c1-15-5-11-21-18(13-15)8-12-22(26-21)17-3-2-4-20(14-17)25-23(27)16-6-9-19(24)10-7-16/h2-14H,1H3,(H,25,27).
What are the key properties of 4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide?
4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide has a molecular weight of 372.86 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide is sourced from PubChem (CID 74763620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).