1-[(2-chlorophenyl)methyl]-6-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C15H12ClF3N2O2 — CID 18112649

IUPAC1-[(2-chlorophenyl)methyl]-6-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C15H12ClF3N2O2/c16-12-4-2-1-3-10(12)7-21-8-11(5-6-13(21)22)14(23)20-9-15(17,18)19/h1-6,8H,7,9H2,(H,20,23)
InChIKeyYAROBUSNXHBVPR-UHFFFAOYSA-N
MW344.72 g/mol
LogP2.84
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

1-[(2-chlorophenyl)methyl]-6-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 18112649) has the molecular formula C15H12ClF3N2O2 and a molecular weight of 344.72 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-6-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID18112649
Molecular FormulaC15H12ClF3N2O2
Molecular Weight344.72 g/mol
Exact Mass344.05
IUPAC Name1-[(2-chlorophenyl)methyl]-6-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C15H12ClF3N2O2/c16-12-4-2-1-3-10(12)7-21-8-11(5-6-13(21)22)14(23)20-9-15(17,18)19/h1-6,8H,7,9H2,(H,20,23)
InChIKeyYAROBUSNXHBVPR-UHFFFAOYSA-N
XLogP2.84
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((2,4-Dichlorophenyl)methyl)-N-ethyl-1,6-dihydro-6-oxo-3-pyridinecarboxamide
CID 2764863
1-[(2-Chlorophenyl)methyl]-4-methylpyridin-2-one
CID 53627066
N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
CID 2096931
1-(2-Chloro-6-fluorobenzyl)-3-methyl-1,2-dihydropyridin-2-one
CID 2805343
1-(2-chloro-6-fluorobenzyl)pyridin-2(1H)-one
CID 943457
N-benzyl-3-(2-chlorophenyl)acrylamide
CID 5333112
N-(2,4-Dichloro-benzyl)-6-hydroxy-nicotinamide
CID 7545432
1-(2,6-Dichlorobenzyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydro-3-pyridinecarboxamide
CID 3551766
N-methyl-6-oxo-1-[3-(trifluoromethyl)benzyl]-1,6-dihydro-3-pyridinecarboxamide
CID 3736463
1-(3-Chlorobenzyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydro-3-pyridinecarboxamide
CID 3849988
6-oxo-N-[3-(trifluoromethyl)benzyl]-1,6-dihydropyridine-3-carboxamide
CID 2108324
N-[2-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 2496968

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 18112649) is 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is O=C(NCC(F)(F)F)c1ccc(=O)n(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is YAROBUSNXHBVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2/c16-12-4-2-1-3-10(12)7-21-8-11(5-6-13(21)22)14(23)20-9-15(17,18)19/h1-6,8H,7,9H2,(H,20,23).
What are the key properties of 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-6-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 344.72 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 18112649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).