3-(4-chlorophenyl)-2-methyl-2H-1,3-benzoxazin-4-one

C15H12ClNO2 — CID 29208

IUPAC3-(4-chlorophenyl)-2-methyl-2H-1,3-benzoxazin-4-one
SMILESCC1Oc2ccccc2C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO2/c1-10-17(12-8-6-11(16)7-9-12)15(18)13-4-2-3-5-14(13)19-10/h2-10H,1H3
InChIKeyPLKLQJMXSJIMBX-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.73
Rot. Bonds1

About 3-(4-chlorophenyl)-2-methyl-2H-1,3-benzoxazin-4-one

3-(4-chlorophenyl)-2-methyl-2H-1,3-benzoxazin-4-one (PubChem CID 29208) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methyl-2H-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-methyl-2H-1,3-benzoxazin-4-one
PubChem CID29208
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name3-(4-chlorophenyl)-2-methyl-2H-1,3-benzoxazin-4-one
SMILESCC1Oc2ccccc2C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO2/c1-10-17(12-8-6-11(16)7-9-12)15(18)13-4-2-3-5-14(13)19-10/h2-10H,1H3
InChIKeyPLKLQJMXSJIMBX-UHFFFAOYSA-N
XLogP3.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-2-methyl-2H-1,3-benzoxazin-4-one 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 3-(4-chlorophenyl)-2-methyl-2H-1,3-benzoxazin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-methyl-2H-1,3-benzoxazin-4-one (CID 29208) is 3-(4-chlorophenyl)-2-methyl-2H-1,3-benzoxazin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-methyl-2H-1,3-benzoxazin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-methyl-2H-1,3-benzoxazin-4-one is CC1Oc2ccccc2C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-methyl-2H-1,3-benzoxazin-4-one?
The InChIKey is PLKLQJMXSJIMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-10-17(12-8-6-11(16)7-9-12)15(18)13-4-2-3-5-14(13)19-10/h2-10H,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-methyl-2H-1,3-benzoxazin-4-one?
3-(4-chlorophenyl)-2-methyl-2H-1,3-benzoxazin-4-one has a molecular weight of 273.72 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-methyl-2H-1,3-benzoxazin-4-one is sourced from PubChem (CID 29208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).