N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-phenoxypropanamide

C21H19ClN2O3 — CID 55804143

IUPACN-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C21H19ClN2O3/c1-15(27-18-8-3-2-4-9-18)21(26)23-17-11-12-20(25)24(14-17)13-16-7-5-6-10-19(16)22/h2-12,14-15H,13H2,1H3,(H,23,26)
InChIKeyLVGPSHNATPSENF-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.96
Rot. Bonds6

About N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-phenoxypropanamide

N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-phenoxypropanamide (PubChem CID 55804143) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-phenoxypropanamide
PubChem CID55804143
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C21H19ClN2O3/c1-15(27-18-8-3-2-4-9-18)21(26)23-17-11-12-20(25)24(14-17)13-16-7-5-6-10-19(16)22/h2-12,14-15H,13H2,1H3,(H,23,26)
InChIKeyLVGPSHNATPSENF-UHFFFAOYSA-N
XLogP3.96
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-methylpentanamide;hydrochloride
CID 119723887
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
1-[(2-chlorophenyl)methyl]-6-oxo-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 8671405
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
N-(1-benzyl-6-oxo-3-pyridinyl)acetamide
CID 167759496
N-(2-chlorophenyl)-2-phenoxypropanamide
CID 2897832
(2R)-N-(2-chlorophenyl)-2-phenoxypropanamide
CID 837154
(2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-phenoxypropanamide
CID 51942158
7-amino-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]heptanamide;hydrochloride
CID 119723855
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 55804395
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-6-ethoxypyridine-3-carboxamide
CID 87005498
N-(3,5-dichlorophenyl)-2-phenoxypropanamide
CID 2886890

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-phenoxypropanamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-phenoxypropanamide (CID 55804143) is N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-phenoxypropanamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-phenoxypropanamide?
The InChIKey is LVGPSHNATPSENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-15(27-18-8-3-2-4-9-18)21(26)23-17-11-12-20(25)24(14-17)13-16-7-5-6-10-19(16)22/h2-12,14-15H,13H2,1H3,(H,23,26).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-phenoxypropanamide?
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-phenoxypropanamide has a molecular weight of 382.85 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-phenoxypropanamide is sourced from PubChem (CID 55804143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).