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

C20H13Cl2F3N2O2 — CID 155464279

IUPACN-[bis(4-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C20H13Cl2F3N2O2/c21-13-5-1-11(2-6-13)17(12-3-7-14(22)8-4-12)27-19(29)15-9-10-16(20(23,24)25)26-18(15)28/h1-10,17H,(H,26,28)(H,27,29)
InChIKeySXNRRLVZUSMTQE-UHFFFAOYSA-N
MW441.24 g/mol
LogP5.22
Rot. Bonds4

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

N-[bis(4-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464279) has the molecular formula C20H13Cl2F3N2O2 and a molecular weight of 441.24 g/mol. Its IUPAC name is N-[bis(4-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[bis(4-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464279
Molecular FormulaC20H13Cl2F3N2O2
Molecular Weight441.24 g/mol
Exact Mass440.03
IUPAC NameN-[bis(4-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C20H13Cl2F3N2O2/c21-13-5-1-11(2-6-13)17(12-3-7-14(22)8-4-12)27-19(29)15-9-10-16(20(23,24)25)26-18(15)28/h1-10,17H,(H,26,28)(H,27,29)
InChIKeySXNRRLVZUSMTQE-UHFFFAOYSA-N
XLogP5.22
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.24
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[bis(4-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
N-[[4-(2-methylpropyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464240

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[bis(4-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464279) is N-[bis(4-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[bis(4-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[bis(4-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[bis(4-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is SXNRRLVZUSMTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F3N2O2/c21-13-5-1-11(2-6-13)17(12-3-7-14(22)8-4-12)27-19(29)15-9-10-16(20(23,24)25)26-18(15)28/h1-10,17H,(H,26,28)(H,27,29).
What are the key properties of N-[bis(4-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[bis(4-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 441.24 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).