2-(4-chlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one

C14H10ClNO2 — CID 2844985

IUPAC2-(4-chlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESO=C1NC(c2ccc(Cl)cc2)Oc2ccccc21
InChIInChI=1S/C14H10ClNO2/c15-10-7-5-9(6-8-10)14-16-13(17)11-3-1-2-4-12(11)18-14/h1-8,14H,(H,16,17)
InChIKeyFSKJCHUOYBRXMU-UHFFFAOYSA-N
MW259.69 g/mol
LogP3.16
Rot. Bonds1

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

2-(4-chlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one (PubChem CID 2844985) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
PubChem CID2844985
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name2-(4-chlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESO=C1NC(c2ccc(Cl)cc2)Oc2ccccc21
InChIInChI=1S/C14H10ClNO2/c15-10-7-5-9(6-8-10)14-16-13(17)11-3-1-2-4-12(11)18-14/h1-8,14H,(H,16,17)
InChIKeyFSKJCHUOYBRXMU-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one (CID 2844985) is 2-(4-chlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one is O=C1NC(c2ccc(Cl)cc2)Oc2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The InChIKey is FSKJCHUOYBRXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-10-7-5-9(6-8-10)14-16-13(17)11-3-1-2-4-12(11)18-14/h1-8,14H,(H,16,17).
What are the key properties of 2-(4-chlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
2-(4-chlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one has a molecular weight of 259.69 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one is sourced from PubChem (CID 2844985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).