N-[(2-chlorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide

C15H14ClNO3 — CID 4299301

IUPACN-[(2-chlorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H14ClNO3/c1-9-7-13(18)20-10(2)14(9)15(19)17-8-11-5-3-4-6-12(11)16/h3-7H,8H2,1-2H3,(H,17,19)
InChIKeyQMWMQRDJEFZQRC-UHFFFAOYSA-N
MW291.73 g/mol
LogP2.84
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide

N-[(2-chlorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 4299301) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID4299301
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC NameN-[(2-chlorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H14ClNO3/c1-9-7-13(18)20-10(2)14(9)15(19)17-8-11-5-3-4-6-12(11)16/h3-7H,8H2,1-2H3,(H,17,19)
InChIKeyQMWMQRDJEFZQRC-UHFFFAOYSA-N
XLogP2.84
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 4299301) is N-[(2-chlorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is QMWMQRDJEFZQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-9-7-13(18)20-10(2)14(9)15(19)17-8-11-5-3-4-6-12(11)16/h3-7H,8H2,1-2H3,(H,17,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-[(2-chlorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 291.73 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 4299301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).