5-chloro-2-(2-chlorophenyl)-3,1-benzoxazin-4-one

C14H7Cl2NO2 — CID 46838143

IUPAC5-chloro-2-(2-chlorophenyl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccccc2Cl)nc2cccc(Cl)c12
InChIInChI=1S/C14H7Cl2NO2/c15-9-5-2-1-4-8(9)13-17-11-7-3-6-10(16)12(11)14(18)19-13/h1-7H
InChIKeyUZCDIFQXYCIQAK-UHFFFAOYSA-N
MW292.12 g/mol
LogP4.16
Rot. Bonds1

About 5-chloro-2-(2-chlorophenyl)-3,1-benzoxazin-4-one

5-chloro-2-(2-chlorophenyl)-3,1-benzoxazin-4-one (PubChem CID 46838143) has the molecular formula C14H7Cl2NO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is 5-chloro-2-(2-chlorophenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name5-chloro-2-(2-chlorophenyl)-3,1-benzoxazin-4-one
PubChem CID46838143
Molecular FormulaC14H7Cl2NO2
Molecular Weight292.12 g/mol
Exact Mass290.99
IUPAC Name5-chloro-2-(2-chlorophenyl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccccc2Cl)nc2cccc(Cl)c12
InChIInChI=1S/C14H7Cl2NO2/c15-9-5-2-1-4-8(9)13-17-11-7-3-6-10(16)12(11)14(18)19-13/h1-7H
InChIKeyUZCDIFQXYCIQAK-UHFFFAOYSA-N
XLogP4.16
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-(2-chlorophenyl)-3,1-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 5-chloro-2-(2-chlorophenyl)-3,1-benzoxazin-4-one?
The IUPAC name of 5-chloro-2-(2-chlorophenyl)-3,1-benzoxazin-4-one (CID 46838143) is 5-chloro-2-(2-chlorophenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 5-chloro-2-(2-chlorophenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 5-chloro-2-(2-chlorophenyl)-3,1-benzoxazin-4-one is O=c1oc(-c2ccccc2Cl)nc2cccc(Cl)c12.
What is the InChIKey of 5-chloro-2-(2-chlorophenyl)-3,1-benzoxazin-4-one?
The InChIKey is UZCDIFQXYCIQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO2/c15-9-5-2-1-4-8(9)13-17-11-7-3-6-10(16)12(11)14(18)19-13/h1-7H.
What are the key properties of 5-chloro-2-(2-chlorophenyl)-3,1-benzoxazin-4-one?
5-chloro-2-(2-chlorophenyl)-3,1-benzoxazin-4-one has a molecular weight of 292.12 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-chlorophenyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 46838143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).