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

C15H11Cl2NO2 — CID 11522409

IUPAC(3,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESO=C(c1cc(Cl)cc(Cl)c1)N1CCOc2ccccc21
InChIInChI=1S/C15H11Cl2NO2/c16-11-7-10(8-12(17)9-11)15(19)18-5-6-20-14-4-2-1-3-13(14)18/h1-4,7-9H,5-6H2
InChIKeyJWJYFJORHGJQIW-UHFFFAOYSA-N
MW308.16 g/mol
LogP4.03
Rot. Bonds1

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

(3,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 11522409) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID11522409
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Name(3,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESO=C(c1cc(Cl)cc(Cl)c1)N1CCOc2ccccc21
InChIInChI=1S/C15H11Cl2NO2/c16-11-7-10(8-12(17)9-11)15(19)18-5-6-20-14-4-2-1-3-13(14)18/h1-4,7-9H,5-6H2
InChIKeyJWJYFJORHGJQIW-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of (3,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 11522409) is (3,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for (3,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for (3,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone is O=C(c1cc(Cl)cc(Cl)c1)N1CCOc2ccccc21.
What is the InChIKey of (3,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is JWJYFJORHGJQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c16-11-7-10(8-12(17)9-11)15(19)18-5-6-20-14-4-2-1-3-13(14)18/h1-4,7-9H,5-6H2.
What are the key properties of (3,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
(3,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 308.16 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 11522409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).