2,6-difluoro-N-[4-(6-methylquinolin-2-yl)phenyl]benzamide

C23H16F2N2O — CID 46376177

IUPAC2,6-difluoro-N-[4-(6-methylquinolin-2-yl)phenyl]benzamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)ccc2c1
InChIInChI=1S/C23H16F2N2O/c1-14-5-11-21-16(13-14)8-12-20(27-21)15-6-9-17(10-7-15)26-23(28)22-18(24)3-2-4-19(22)25/h2-13H,1H3,(H,26,28)
InChIKeyGSVSMGYSDLRKTR-UHFFFAOYSA-N
MW374.39 g/mol
LogP5.74
Rot. Bonds3

About 2,6-difluoro-N-[4-(6-methylquinolin-2-yl)phenyl]benzamide

2,6-difluoro-N-[4-(6-methylquinolin-2-yl)phenyl]benzamide (PubChem CID 46376177) has the molecular formula C23H16F2N2O and a molecular weight of 374.39 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-(6-methylquinolin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-(6-methylquinolin-2-yl)phenyl]benzamide
PubChem CID46376177
Molecular FormulaC23H16F2N2O
Molecular Weight374.39 g/mol
Exact Mass374.12
IUPAC Name2,6-difluoro-N-[4-(6-methylquinolin-2-yl)phenyl]benzamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)ccc2c1
InChIInChI=1S/C23H16F2N2O/c1-14-5-11-21-16(13-14)8-12-20(27-21)15-6-9-17(10-7-15)26-23(28)22-18(24)3-2-4-19(22)25/h2-13H,1H3,(H,26,28)
InChIKeyGSVSMGYSDLRKTR-UHFFFAOYSA-N
XLogP5.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.39
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide
CID 74763620
N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide
CID 70311383
2-(4-fluorophenyl)-6-methyl-N-(4-methylphenyl)quinoline-4-carboxamide
CID 42749727
2,3,4,5,6-pentafluoro-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 3363557
2-(2-fluorophenyl)-6-methylquinoline
CID 58774468
2,6-difluoro-N-[4-(2,2,6-trimethylchromen-4-yl)phenyl]benzamide
CID 87056899
N-(2-bromo-4-methylphenyl)-2,6-difluorobenzamide
CID 24689737
1-N,3-N,5-N-tris(4-benzo[f]quinolin-3-ylphenyl)benzene-1,3,5-tricarboxamide
CID 126638754
2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide
CID 46375355
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64794940

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-(6-methylquinolin-2-yl)phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-(6-methylquinolin-2-yl)phenyl]benzamide (CID 46376177) is 2,6-difluoro-N-[4-(6-methylquinolin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-(6-methylquinolin-2-yl)phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-(6-methylquinolin-2-yl)phenyl]benzamide is Cc1ccc2nc(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)ccc2c1.
What is the InChIKey of 2,6-difluoro-N-[4-(6-methylquinolin-2-yl)phenyl]benzamide?
The InChIKey is GSVSMGYSDLRKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O/c1-14-5-11-21-16(13-14)8-12-20(27-21)15-6-9-17(10-7-15)26-23(28)22-18(24)3-2-4-19(22)25/h2-13H,1H3,(H,26,28).
What are the key properties of 2,6-difluoro-N-[4-(6-methylquinolin-2-yl)phenyl]benzamide?
2,6-difluoro-N-[4-(6-methylquinolin-2-yl)phenyl]benzamide has a molecular weight of 374.39 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-(6-methylquinolin-2-yl)phenyl]benzamide is sourced from PubChem (CID 46376177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).