N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C20H14ClF3N2O2 — CID 155464331

IUPACN-[(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C20H14ClF3N2O2/c21-14-8-6-13(7-9-14)17(12-4-2-1-3-5-12)26-19(28)15-10-11-16(20(22,23)24)25-18(15)27/h1-11,17H,(H,25,27)(H,26,28)
InChIKeyAMDOTTMNNWBGCT-UHFFFAOYSA-N
MW406.79 g/mol
LogP4.57
Rot. Bonds4

About N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464331) has the molecular formula C20H14ClF3N2O2 and a molecular weight of 406.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464331
Molecular FormulaC20H14ClF3N2O2
Molecular Weight406.79 g/mol
Exact Mass406.07
IUPAC NameN-[(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C20H14ClF3N2O2/c21-14-8-6-13(7-9-14)17(12-4-2-1-3-5-12)26-19(28)15-10-11-16(20(22,23)24)25-18(15)27/h1-11,17H,(H,25,27)(H,26,28)
InChIKeyAMDOTTMNNWBGCT-UHFFFAOYSA-N
XLogP4.57
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.79
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4'-chloro-(1,1'-biphenyl)-2-yl)-2-hydroxypyridine-3-carboxamide
CID 132933455
(E)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 11983241
6-(4-Chlorophenyl)-n3-cyclohexyl-4-oxo-1-pentyl-1,4-dihydropyridine-3-carboxamide
CID 49820166
N-benzyl-N'-[(4-chlorophenyl)methyl]propanediamide
CID 947860
N,N'-bis[(4-chlorophenyl)methyl]propanediamide
CID 2404770
N-benzyl-1-(3-chlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1482967
1-(2,6-Dichlorobenzyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydro-3-pyridinecarboxamide
CID 3551766
1-(3-Chlorobenzyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydro-3-pyridinecarboxamide
CID 3849988
(E)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 16126405
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-3-(4-phenylpiperidin-1-yl)propanamide
CID 57392441
N-[1-(4-chlorophenyl)-2,2-difluoroethyl]-3-(4-phenylpiperidin-1-yl)propanamide
CID 57401145
1-[(4-chlorophenyl)methyl]-N-cycloheptyl-2-oxopyridine-3-carboxamide
CID 76314180

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464331) is N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC(c1ccccc1)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is AMDOTTMNNWBGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O2/c21-14-8-6-13(7-9-14)17(12-4-2-1-3-5-12)26-19(28)15-10-11-16(20(22,23)24)25-18(15)27/h1-11,17H,(H,25,27)(H,26,28).
What are the key properties of N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 406.79 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).