4-benzoyl-2-phenyl-1,4-benzoxazin-3-one

C21H15NO3 — CID 3254714

IUPAC4-benzoyl-2-phenyl-1,4-benzoxazin-3-one
SMILESO=C(c1ccccc1)N1C(=O)C(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C21H15NO3/c23-20(16-11-5-2-6-12-16)22-17-13-7-8-14-18(17)25-19(21(22)24)15-9-3-1-4-10-15/h1-14,19H
InChIKeySKUGMJYGUNVEJD-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.99
Rot. Bonds2

About 4-benzoyl-2-phenyl-1,4-benzoxazin-3-one

4-benzoyl-2-phenyl-1,4-benzoxazin-3-one (PubChem CID 3254714) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-benzoyl-2-phenyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-benzoyl-2-phenyl-1,4-benzoxazin-3-one
PubChem CID3254714
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name4-benzoyl-2-phenyl-1,4-benzoxazin-3-one
SMILESO=C(c1ccccc1)N1C(=O)C(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C21H15NO3/c23-20(16-11-5-2-6-12-16)22-17-13-7-8-14-18(17)25-19(21(22)24)15-9-3-1-4-10-15/h1-14,19H
InChIKeySKUGMJYGUNVEJD-UHFFFAOYSA-N
XLogP3.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Psb-12054
CID 60168729
4-[(4-methylphenyl)carbonyl]-2-phenyl-2H-1,4-benzoxazin-3(4H)-one
CID 5157550
methyl 4-[(Z)-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)methyl]benzoate
CID 24762081
(2-Benzamidophenyl) benzoate
CID 226518
4-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 5295598
6-Acetyl-2H-1,4-benzoxazin-3(4H)-one
CID 3641956
N-(2-ethoxyphenyl)-2-phenylbenzamide
CID 976149
4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-(2-ethoxyphenyl)benzamide
CID 2273251
2-Morpholinophenyl benzoate
CID 2813067
2-Methyl-4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 3227578
4-(4-fluorobenzyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one
CID 3227582
[3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](2-methylphenyl)methanone
CID 3554908

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-2-phenyl-1,4-benzoxazin-3-one?
The IUPAC name of 4-benzoyl-2-phenyl-1,4-benzoxazin-3-one (CID 3254714) is 4-benzoyl-2-phenyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-benzoyl-2-phenyl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-benzoyl-2-phenyl-1,4-benzoxazin-3-one is O=C(c1ccccc1)N1C(=O)C(c2ccccc2)Oc2ccccc21.
What is the InChIKey of 4-benzoyl-2-phenyl-1,4-benzoxazin-3-one?
The InChIKey is SKUGMJYGUNVEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c23-20(16-11-5-2-6-12-16)22-17-13-7-8-14-18(17)25-19(21(22)24)15-9-3-1-4-10-15/h1-14,19H.
What are the key properties of 4-benzoyl-2-phenyl-1,4-benzoxazin-3-one?
4-benzoyl-2-phenyl-1,4-benzoxazin-3-one has a molecular weight of 329.36 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-2-phenyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 3254714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).