6-bromo-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one

C14H10BrNO2 — CID 176555493

IUPAC6-bromo-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one
SMILESO=C1NC(c2ccccc2)Oc2ccc(Br)cc21
InChIInChI=1S/C14H10BrNO2/c15-10-6-7-12-11(8-10)13(17)16-14(18-12)9-4-2-1-3-5-9/h1-8,14H,(H,16,17)
InChIKeyZJMINABPXAPMOH-UHFFFAOYSA-N
MW304.14 g/mol
LogP3.27
Rot. Bonds1

About 6-bromo-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one

6-bromo-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one (PubChem CID 176555493) has the molecular formula C14H10BrNO2 and a molecular weight of 304.14 g/mol. Its IUPAC name is 6-bromo-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name6-bromo-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one
PubChem CID176555493
Molecular FormulaC14H10BrNO2
Molecular Weight304.14 g/mol
Exact Mass302.99
IUPAC Name6-bromo-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one
SMILESO=C1NC(c2ccccc2)Oc2ccc(Br)cc21
InChIInChI=1S/C14H10BrNO2/c15-10-6-7-12-11(8-10)13(17)16-14(18-12)9-4-2-1-3-5-9/h1-8,14H,(H,16,17)
InChIKeyZJMINABPXAPMOH-UHFFFAOYSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one
CID 777109
(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
CID 71059551
6-amino-2-(3-phenoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 172562227
(2R)-2-(3-phenoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 2320255
(2R)-2-(4-ethylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 777827
N-[4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl]acetamide
CID 853671
7-methyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 102196486
6-bromo-2-(3-iodophenyl)-2,3-dihydrochromen-4-one
CID 114283242
6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 114674234
6-bromo-2-(2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 58424087
2-(3-bromophenyl)-3-hydroxy-2,3-dihydrochromen-4-one
CID 5271519
2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 4859193

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one?
The IUPAC name of 6-bromo-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one (CID 176555493) is 6-bromo-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one.
What is the SMILES notation for 6-bromo-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one?
The canonical SMILES for 6-bromo-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one is O=C1NC(c2ccccc2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one?
The InChIKey is ZJMINABPXAPMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2/c15-10-6-7-12-11(8-10)13(17)16-14(18-12)9-4-2-1-3-5-9/h1-8,14H,(H,16,17).
What are the key properties of 6-bromo-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one?
6-bromo-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one has a molecular weight of 304.14 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one is sourced from PubChem (CID 176555493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).