N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C21H15ClF3N3O2 — CID 45485735

IUPACN-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H15ClF3N3O2/c1-12-15(8-10-18(26-12)21(23,24)25)19(29)28-14-7-9-17(22)16(11-14)20(30)27-13-5-3-2-4-6-13/h2-11H,1H3,(H,27,30)(H,28,29)
InChIKeyJFUHNKVQYREKOQ-UHFFFAOYSA-N
MW433.82 g/mol
LogP5.57
Rot. Bonds4

About N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 45485735) has the molecular formula C21H15ClF3N3O2 and a molecular weight of 433.82 g/mol. Its IUPAC name is N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID45485735
Molecular FormulaC21H15ClF3N3O2
Molecular Weight433.82 g/mol
Exact Mass433.08
IUPAC NameN-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H15ClF3N3O2/c1-12-15(8-10-18(26-12)21(23,24)25)19(29)28-14-7-9-17(22)16(11-14)20(30)27-13-5-3-2-4-6-13/h2-11H,1H3,(H,27,30)(H,28,29)
InChIKeyJFUHNKVQYREKOQ-UHFFFAOYSA-N
XLogP5.57
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.82
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-Chloro-benzoylamino)-phenyl]-nicotinamide
CID 1124627
2-Chloro-N-pyridin-3-yl-5-(3-trifluoromethyl-benzoylamino)-benzamide
CID 11567957
2-Chloro-5-(3-fluoro-benzoylamino)-N-pyridin-3-yl-benzamide
CID 44561875
N-(4-chloro-3-(pyridin-2-yl)phenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 44626323
N-(4-chloro-3-(pyridin-2-yl)phenyl)-2,6-dimethylnicotinamide
CID 45485759
N-(3-chloro-4-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59807625
2-chloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide
CID 597845
N-(4-chlorophenyl)-2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxamide
CID 2742284
N-(4-chloro-3-(1H-indol-2-yl)phenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 45485794
N-[3,5-Bis(trifluoromethyl)benzyl]-6-chloro-2-methyl-4-phenylnicotinamide
CID 54581251
2-chloro-N-[4-(6-phenyl-2-pyridinyl)phenyl]benzamide
CID 56675441
N-(3-chloro-2-methylphenyl)-6-fluoro-2-methylquinoline-3-carboxamide
CID 942646

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 45485735) is N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1.
What is the InChIKey of N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is JFUHNKVQYREKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N3O2/c1-12-15(8-10-18(26-12)21(23,24)25)19(29)28-14-7-9-17(22)16(11-14)20(30)27-13-5-3-2-4-6-13/h2-11H,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 433.82 g/mol, XLogP of 5.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 45485735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).