4-chloro-3-(3-cyano-6-fluoroquinolin-2-yl)-N-methyl-N-phenylbenzamide

C24H15ClFN3O — CID 141220003

IUPAC4-chloro-3-(3-cyano-6-fluoroquinolin-2-yl)-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(Cl)c(-c2nc3ccc(F)cc3cc2C#N)c1)c1ccccc1
InChIInChI=1S/C24H15ClFN3O/c1-29(19-5-3-2-4-6-19)24(30)15-7-9-21(25)20(13-15)23-17(14-27)11-16-12-18(26)8-10-22(16)28-23/h2-13H,1H3
InChIKeyQCMBMNPPEFDATM-UHFFFAOYSA-N
MW415.86 g/mol
LogP5.84
Rot. Bonds3

About 4-chloro-3-(3-cyano-6-fluoroquinolin-2-yl)-N-methyl-N-phenylbenzamide

4-chloro-3-(3-cyano-6-fluoroquinolin-2-yl)-N-methyl-N-phenylbenzamide (PubChem CID 141220003) has the molecular formula C24H15ClFN3O and a molecular weight of 415.86 g/mol. Its IUPAC name is 4-chloro-3-(3-cyano-6-fluoroquinolin-2-yl)-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-chloro-3-(3-cyano-6-fluoroquinolin-2-yl)-N-methyl-N-phenylbenzamide
PubChem CID141220003
Molecular FormulaC24H15ClFN3O
Molecular Weight415.86 g/mol
Exact Mass415.09
IUPAC Name4-chloro-3-(3-cyano-6-fluoroquinolin-2-yl)-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(Cl)c(-c2nc3ccc(F)cc3cc2C#N)c1)c1ccccc1
InChIInChI=1S/C24H15ClFN3O/c1-29(19-5-3-2-4-6-19)24(30)15-7-9-21(25)20(13-15)23-17(14-27)11-16-12-18(26)8-10-22(16)28-23/h2-13H,1H3
InChIKeyQCMBMNPPEFDATM-UHFFFAOYSA-N
XLogP5.84
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.86
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-methyl-N-phenylquinoline-3-carboxamide
CID 110489844
6-fluoro-N-methyl-N-phenylquinoline-2-carboxamide
CID 110464478
2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 61062805
4-[2-[[4-chloro-3-(3-cyanocyclohepta[b]pyridin-2-yl)benzoyl]-methylamino]phenoxy]butanoic acid
CID 145491109
N-butyl-4-chloro-3-cyano-N-phenylbenzamide
CID 75444154
3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide
CID 18545673
7-fluoro-N-methyl-9-oxo-N-phenyl-10H-acridine-2-carboxamide
CID 75511213
4-(4-fluorophenoxy)-N-methyl-N-phenylbenzamide
CID 25491019
3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide
CID 82776222
N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide
CID 62983461
2-chloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 61061331
2-chloro-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739024

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-cyano-6-fluoroquinolin-2-yl)-N-methyl-N-phenylbenzamide?
The IUPAC name of 4-chloro-3-(3-cyano-6-fluoroquinolin-2-yl)-N-methyl-N-phenylbenzamide (CID 141220003) is 4-chloro-3-(3-cyano-6-fluoroquinolin-2-yl)-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 4-chloro-3-(3-cyano-6-fluoroquinolin-2-yl)-N-methyl-N-phenylbenzamide?
The canonical SMILES for 4-chloro-3-(3-cyano-6-fluoroquinolin-2-yl)-N-methyl-N-phenylbenzamide is CN(C(=O)c1ccc(Cl)c(-c2nc3ccc(F)cc3cc2C#N)c1)c1ccccc1.
What is the InChIKey of 4-chloro-3-(3-cyano-6-fluoroquinolin-2-yl)-N-methyl-N-phenylbenzamide?
The InChIKey is QCMBMNPPEFDATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClFN3O/c1-29(19-5-3-2-4-6-19)24(30)15-7-9-21(25)20(13-15)23-17(14-27)11-16-12-18(26)8-10-22(16)28-23/h2-13H,1H3.
What are the key properties of 4-chloro-3-(3-cyano-6-fluoroquinolin-2-yl)-N-methyl-N-phenylbenzamide?
4-chloro-3-(3-cyano-6-fluoroquinolin-2-yl)-N-methyl-N-phenylbenzamide has a molecular weight of 415.86 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-cyano-6-fluoroquinolin-2-yl)-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 141220003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).