(3,5-dichloro-4-methoxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone

C16H13Cl2NO3 — CID 11702809

IUPAC(3,5-dichloro-4-methoxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCOc1c(Cl)cc(C(=O)N2CCOc3ccccc32)cc1Cl
InChIInChI=1S/C16H13Cl2NO3/c1-21-15-11(17)8-10(9-12(15)18)16(20)19-6-7-22-14-5-3-2-4-13(14)19/h2-5,8-9H,6-7H2,1H3
InChIKeyOVJYYFFCZLNINR-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.04
Rot. Bonds2

About (3,5-dichloro-4-methoxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone

(3,5-dichloro-4-methoxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 11702809) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is (3,5-dichloro-4-methoxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dichloro-4-methoxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID11702809
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Name(3,5-dichloro-4-methoxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCOc1c(Cl)cc(C(=O)N2CCOc3ccccc32)cc1Cl
InChIInChI=1S/C16H13Cl2NO3/c1-21-15-11(17)8-10(9-12(15)18)16(20)19-6-7-22-14-5-3-2-4-13(14)19/h2-5,8-9H,6-7H2,1H3
InChIKeyOVJYYFFCZLNINR-UHFFFAOYSA-N
XLogP4.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,5-dichloro-4-methoxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone 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 (3,5-dichloro-4-methoxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of (3,5-dichloro-4-methoxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 11702809) is (3,5-dichloro-4-methoxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for (3,5-dichloro-4-methoxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for (3,5-dichloro-4-methoxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone is COc1c(Cl)cc(C(=O)N2CCOc3ccccc32)cc1Cl.
What is the InChIKey of (3,5-dichloro-4-methoxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is OVJYYFFCZLNINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c1-21-15-11(17)8-10(9-12(15)18)16(20)19-6-7-22-14-5-3-2-4-13(14)19/h2-5,8-9H,6-7H2,1H3.
What are the key properties of (3,5-dichloro-4-methoxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
(3,5-dichloro-4-methoxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 338.19 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-4-methoxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 11702809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).