2-[(2-chlorophenyl)methylidene]-4H-1,4-benzoxazin-3-one

C15H10ClNO2 — CID 71363831

IUPAC2-[(2-chlorophenyl)methylidene]-4H-1,4-benzoxazin-3-one
SMILESO=C1Nc2ccccc2OC1=Cc1ccccc1Cl
InChIInChI=1S/C15H10ClNO2/c16-11-6-2-1-5-10(11)9-14-15(18)17-12-7-3-4-8-13(12)19-14/h1-9H,(H,17,18)
InChIKeyFCKDHVDLDGVKQM-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.71
Rot. Bonds1

About 2-[(2-chlorophenyl)methylidene]-4H-1,4-benzoxazin-3-one

2-[(2-chlorophenyl)methylidene]-4H-1,4-benzoxazin-3-one (PubChem CID 71363831) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylidene]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylidene]-4H-1,4-benzoxazin-3-one
PubChem CID71363831
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name2-[(2-chlorophenyl)methylidene]-4H-1,4-benzoxazin-3-one
SMILESO=C1Nc2ccccc2OC1=Cc1ccccc1Cl
InChIInChI=1S/C15H10ClNO2/c16-11-6-2-1-5-10(11)9-14-15(18)17-12-7-3-4-8-13(12)19-14/h1-9H,(H,17,18)
InChIKeyFCKDHVDLDGVKQM-UHFFFAOYSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(2-chlorophenyl)methylidene]-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 46296693
(2Z)-2-[(2-chlorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 46296703
(2Z)-2-[(4-bromophenyl)methylidene]-4H-1,4-benzoxazin-3-one
CID 143664879
(2E)-2-[(4-methylphenyl)methylidene]-4H-1,4-benzoxazin-3-one
CID 10729421
(2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide
CID 92867443
(2E)-2-[(4-nitrophenyl)methylidene]-4H-1,4-benzoxazin-3-one
CID 10612862
(2Z)-2-[(2-chlorophenyl)methylidene]-6-(4-phenylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 46296691
(2E)-2-(thiophen-3-ylmethylidene)-4H-1,4-benzoxazin-3-one
CID 23574516
(2Z)-2-[(3,4-dimethylphenyl)methylidene]-4H-1,4-benzoxazin-3-one
CID 53212378
(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-[(2R)-2-phenylpropyl]-4H-1,4-benzoxazine-6-carboxamide
CID 92867447
(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(2-phenylpropyl)-4H-1,4-benzoxazine-6-carboxamide
CID 46296715
(2Z)-2-[(2-chlorophenyl)methylidene]-4-methyl-1,4-benzoxazin-3-one
CID 155548818

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylidene]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-[(2-chlorophenyl)methylidene]-4H-1,4-benzoxazin-3-one (CID 71363831) is 2-[(2-chlorophenyl)methylidene]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methylidene]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-[(2-chlorophenyl)methylidene]-4H-1,4-benzoxazin-3-one is O=C1Nc2ccccc2OC1=Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylidene]-4H-1,4-benzoxazin-3-one?
The InChIKey is FCKDHVDLDGVKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c16-11-6-2-1-5-10(11)9-14-15(18)17-12-7-3-4-8-13(12)19-14/h1-9H,(H,17,18).
What are the key properties of 2-[(2-chlorophenyl)methylidene]-4H-1,4-benzoxazin-3-one?
2-[(2-chlorophenyl)methylidene]-4H-1,4-benzoxazin-3-one has a molecular weight of 271.70 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylidene]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 71363831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).