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

C21H16ClF3N2O2 — CID 155464330

IUPACN-[1-(4-chlorophenyl)-2-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(Cc1ccccc1)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C21H16ClF3N2O2/c22-15-8-6-14(7-9-15)17(12-13-4-2-1-3-5-13)26-19(28)16-10-11-18(21(23,24)25)27-20(16)29/h1-11,17H,12H2,(H,26,28)(H,27,29)
InChIKeyRBASOWMUPXZCPX-UHFFFAOYSA-N
MW420.82 g/mol
LogP4.76
Rot. Bonds5

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

N-[1-(4-chlorophenyl)-2-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464330) has the molecular formula C21H16ClF3N2O2 and a molecular weight of 420.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464330
Molecular FormulaC21H16ClF3N2O2
Molecular Weight420.82 g/mol
Exact Mass420.09
IUPAC NameN-[1-(4-chlorophenyl)-2-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(Cc1ccccc1)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C21H16ClF3N2O2/c22-15-8-6-14(7-9-15)17(12-13-4-2-1-3-5-13)26-19(28)16-10-11-18(21(23,24)25)27-20(16)29/h1-11,17H,12H2,(H,26,28)(H,27,29)
InChIKeyRBASOWMUPXZCPX-UHFFFAOYSA-N
XLogP4.76
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.82
LogP ≤ 54.76
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
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CID 11589093
(E)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 11983241
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
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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-(3-Chlorobenzyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydro-3-pyridinecarboxamide
CID 3849988
5-[2-(4-Chloro-3-trifluoromethyl-phenyl)-ethylamino]-1-(3-methyl-but-2-enyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 10455836
(E)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 16126405
1-(4-chlorobenzoyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 16292925

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464330) is N-[1-(4-chlorophenyl)-2-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC(Cc1ccccc1)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is RBASOWMUPXZCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O2/c22-15-8-6-14(7-9-15)17(12-13-4-2-1-3-5-13)26-19(28)16-10-11-18(21(23,24)25)27-20(16)29/h1-11,17H,12H2,(H,26,28)(H,27,29).
What are the key properties of N-[1-(4-chlorophenyl)-2-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[1-(4-chlorophenyl)-2-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 420.82 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).