2-(4-chlorophenyl)-6-methyl-4-oxo-N-phenylpyran-3-carboxamide

C19H14ClNO3 — CID 14128678

IUPAC2-(4-chlorophenyl)-6-methyl-4-oxo-N-phenylpyran-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccccc2)c(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H14ClNO3/c1-12-11-16(22)17(19(23)21-15-5-3-2-4-6-15)18(24-12)13-7-9-14(20)10-8-13/h2-11H,1H3,(H,21,23)
InChIKeyHTUDDTWJUJBYHK-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.52
Rot. Bonds3

About 2-(4-chlorophenyl)-6-methyl-4-oxo-N-phenylpyran-3-carboxamide

2-(4-chlorophenyl)-6-methyl-4-oxo-N-phenylpyran-3-carboxamide (PubChem CID 14128678) has the molecular formula C19H14ClNO3 and a molecular weight of 339.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methyl-4-oxo-N-phenylpyran-3-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-methyl-4-oxo-N-phenylpyran-3-carboxamide
PubChem CID14128678
Molecular FormulaC19H14ClNO3
Molecular Weight339.78 g/mol
Exact Mass339.07
IUPAC Name2-(4-chlorophenyl)-6-methyl-4-oxo-N-phenylpyran-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccccc2)c(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H14ClNO3/c1-12-11-16(22)17(19(23)21-15-5-3-2-4-6-15)18(24-12)13-7-9-14(20)10-8-13/h2-11H,1H3,(H,21,23)
InChIKeyHTUDDTWJUJBYHK-UHFFFAOYSA-N
XLogP4.52
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide
CID 10576901
N-(4-chlorophenyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 12664397
3-hydroxy-6-methyl-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide
CID 54724245
1-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-oxo-N-phenylpyridine-3-carboxamide
CID 23040296
4-oxo-N,2,5,6-tetraphenylpyran-3-carboxamide
CID 164685853
2,4,6-trichloro-N-phenylbenzamide
CID 68933625
2-(4-chlorophenyl)-N-phenylbenzamide
CID 102340259
2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
2-(3-chlorophenyl)-6-methyl-4-oxo-1-pentyl-N-phenylpyridine-3-carboxamide
CID 23040917
N,1-bis(4-chlorophenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 3062172
6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54717880
3-amino-6-chloro-2-methyl-N-phenylbenzamide
CID 86676286

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-methyl-4-oxo-N-phenylpyran-3-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-6-methyl-4-oxo-N-phenylpyran-3-carboxamide (CID 14128678) is 2-(4-chlorophenyl)-6-methyl-4-oxo-N-phenylpyran-3-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-6-methyl-4-oxo-N-phenylpyran-3-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-6-methyl-4-oxo-N-phenylpyran-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2ccccc2)c(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-(4-chlorophenyl)-6-methyl-4-oxo-N-phenylpyran-3-carboxamide?
The InChIKey is HTUDDTWJUJBYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3/c1-12-11-16(22)17(19(23)21-15-5-3-2-4-6-15)18(24-12)13-7-9-14(20)10-8-13/h2-11H,1H3,(H,21,23).
What are the key properties of 2-(4-chlorophenyl)-6-methyl-4-oxo-N-phenylpyran-3-carboxamide?
2-(4-chlorophenyl)-6-methyl-4-oxo-N-phenylpyran-3-carboxamide has a molecular weight of 339.78 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-methyl-4-oxo-N-phenylpyran-3-carboxamide is sourced from PubChem (CID 14128678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).