N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]benzamide

C19H14ClNO3 — CID 1484445

IUPACN-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]benzamide
SMILESCc1cc(-c2ccc(Cl)cc2)oc(=O)c1NC(=O)c1ccccc1
InChIInChI=1S/C19H14ClNO3/c1-12-11-16(13-7-9-15(20)10-8-13)24-19(23)17(12)21-18(22)14-5-3-2-4-6-14/h2-11H,1H3,(H,21,22)
InChIKeyRVYQUGUMJNTYEP-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.52
Rot. Bonds3

About N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]benzamide

N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]benzamide (PubChem CID 1484445) has the molecular formula C19H14ClNO3 and a molecular weight of 339.78 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]benzamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]benzamide
PubChem CID1484445
Molecular FormulaC19H14ClNO3
Molecular Weight339.78 g/mol
Exact Mass339.07
IUPAC NameN-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]benzamide
SMILESCc1cc(-c2ccc(Cl)cc2)oc(=O)c1NC(=O)c1ccccc1
InChIInChI=1S/C19H14ClNO3/c1-12-11-16(13-7-9-15(20)10-8-13)24-19(23)17(12)21-18(22)14-5-3-2-4-6-14/h2-11H,1H3,(H,21,22)
InChIKeyRVYQUGUMJNTYEP-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

Analyze N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide
CID 1268889
N-(3-benzamido-2,4,6-trimethylphenyl)benzamide
CID 5084961
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-(4-oxo-2,6-diphenylpyran-3-yl)benzamide
CID 981585
N-(4-chloro-2-methylphenyl)-4-phenylbenzamide
CID 19174130
N-(2,6-difluoro-3-methylphenyl)benzamide
CID 82819371
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
N-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide
CID 54541897
4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide
CID 684747
2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one
CID 10756387
N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 2742801
N-(5-benzamido-6-methyl-2-oxopyran-3-yl)benzamide
CID 86259664

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]benzamide?
The IUPAC name of N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]benzamide (CID 1484445) is N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]benzamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]benzamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]benzamide is Cc1cc(-c2ccc(Cl)cc2)oc(=O)c1NC(=O)c1ccccc1.
What is the InChIKey of N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]benzamide?
The InChIKey is RVYQUGUMJNTYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3/c1-12-11-16(13-7-9-15(20)10-8-13)24-19(23)17(12)21-18(22)14-5-3-2-4-6-14/h2-11H,1H3,(H,21,22).
What are the key properties of N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]benzamide?
N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]benzamide 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 N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]benzamide is sourced from PubChem (CID 1484445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).