1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide

C20H14ClF3N2O2 — CID 8671010

IUPAC1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C20H14ClF3N2O2/c21-16-8-7-15(20(22,23)24)10-17(16)25-19(28)14-6-9-18(27)26(12-14)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,25,28)
InChIKeyYBRYAJGGOBEHDR-UHFFFAOYSA-N
MW406.79 g/mol
LogP4.82
Rot. Bonds4

About 1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide

1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide (PubChem CID 8671010) has the molecular formula C20H14ClF3N2O2 and a molecular weight of 406.79 g/mol. Its IUPAC name is 1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide
PubChem CID8671010
Molecular FormulaC20H14ClF3N2O2
Molecular Weight406.79 g/mol
Exact Mass406.07
IUPAC Name1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C20H14ClF3N2O2/c21-16-8-7-15(20(22,23)24)10-17(16)25-19(28)14-6-9-18(27)26(12-14)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,25,28)
InChIKeyYBRYAJGGOBEHDR-UHFFFAOYSA-N
XLogP4.82
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.79
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 71700191
1-benzyl-N-(2-fluorophenyl)-6-oxopyridine-3-carboxamide
CID 8670963
N-(2-cyanophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697272
N-(3-chlorophenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26844128
1-[(4-chlorophenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 3778980
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide
CID 126129121
N-(2,6-dimethylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697298
N-(4-fluorophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697248
1-[(4-fluorophenyl)methyl]-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26843822
1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 110382697
N-(3-fluorophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697243
1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26843824

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide (CID 8671010) is 1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(=O)n(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide?
The InChIKey is YBRYAJGGOBEHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O2/c21-16-8-7-15(20(22,23)24)10-17(16)25-19(28)14-6-9-18(27)26(12-14)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,25,28).
What are the key properties of 1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide?
1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide has a molecular weight of 406.79 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 8671010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).