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

C15H12ClNO2 — CID 2823799

IUPAC(4-chlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCOc2ccccc21
InChIInChI=1S/C15H12ClNO2/c16-12-7-5-11(6-8-12)15(18)17-9-10-19-14-4-2-1-3-13(14)17/h1-8H,9-10H2
InChIKeyJVTOVFSJPOIMHA-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.38
Rot. Bonds1

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

(4-chlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 2823799) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is (4-chlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID2823799
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name(4-chlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCOc2ccccc21
InChIInChI=1S/C15H12ClNO2/c16-12-7-5-11(6-8-12)15(18)17-9-10-19-14-4-2-1-3-13(14)17/h1-8H,9-10H2
InChIKeyJVTOVFSJPOIMHA-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 2823799) is (4-chlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCOc2ccccc21.
What is the InChIKey of (4-chlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is JVTOVFSJPOIMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-12-7-5-11(6-8-12)15(18)17-9-10-19-14-4-2-1-3-13(14)17/h1-8H,9-10H2.
What are the key properties of (4-chlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
(4-chlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 273.72 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 2823799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).