N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide

C20H14ClF3N2O3 — CID 27563765

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccn(OCc2ccccc2)c1=O
InChIInChI=1S/C20H14ClF3N2O3/c21-14-8-9-17(16(11-14)20(22,23)24)25-18(27)15-7-4-10-26(19(15)28)29-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,25,27)
InChIKeyHKLNGMHBZVDMLP-UHFFFAOYSA-N
MW422.79 g/mol
LogP4.40
Rot. Bonds5

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide (PubChem CID 27563765) has the molecular formula C20H14ClF3N2O3 and a molecular weight of 422.79 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide
PubChem CID27563765
Molecular FormulaC20H14ClF3N2O3
Molecular Weight422.79 g/mol
Exact Mass422.06
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccn(OCc2ccccc2)c1=O
InChIInChI=1S/C20H14ClF3N2O3/c21-14-8-9-17(16(11-14)20(22,23)24)25-18(27)15-7-4-10-26(19(15)28)29-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,25,27)
InChIKeyHKLNGMHBZVDMLP-UHFFFAOYSA-N
XLogP4.40
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.79
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-1-phenylmethoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 110383144
N-(2-carbamoylphenyl)-1-[(3-chlorophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382847
N-(2-carbamoylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110382870
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
1-[(3-chlorophenyl)methoxy]-N-(2-cyanophenyl)-2-oxopyridine-3-carboxamide
CID 110382844
N-(2,3-dimethylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110383139
N-(2-cyanophenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110382865
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
N-(4-carbamoylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110382871
N-(3-acetylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 40505024
N-(4-carbamoylphenyl)-1-[(4-chlorophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382726
methyl 2-[[1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7189982

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide (CID 27563765) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccn(OCc2ccccc2)c1=O.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide?
The InChIKey is HKLNGMHBZVDMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O3/c21-14-8-9-17(16(11-14)20(22,23)24)25-18(27)15-7-4-10-26(19(15)28)29-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,25,27).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide has a molecular weight of 422.79 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide is sourced from PubChem (CID 27563765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).