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

C14H10BrNO2 — CID 2832472

IUPAC2-(4-bromophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESO=C1NC(c2ccc(Br)cc2)Oc2ccccc21
InChIInChI=1S/C14H10BrNO2/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)
InChIKeyCRHCSAIFTRLLNN-UHFFFAOYSA-N
MW304.14 g/mol
LogP3.27
Rot. Bonds1

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

2-(4-bromophenyl)-2,3-dihydro-1,3-benzoxazin-4-one (PubChem CID 2832472) has the molecular formula C14H10BrNO2 and a molecular weight of 304.14 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2,3-dihydro-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
PubChem CID2832472
Molecular FormulaC14H10BrNO2
Molecular Weight304.14 g/mol
Exact Mass302.99
IUPAC Name2-(4-bromophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESO=C1NC(c2ccc(Br)cc2)Oc2ccccc21
InChIInChI=1S/C14H10BrNO2/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)
InChIKeyCRHCSAIFTRLLNN-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

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Related Compounds

Chlorthenoxazine
CID 8602
2-(4-Propan-2-ylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 5044994
2-(3-Chloro-phenyl)-2,3-dihydro-benzo[e][1,3]oxazin-4-one
CID 6489064
Butyric acid 3-(4-oxo-3,4-dihydro-2H-benzo[e][1,3]oxazin-2-yl)-phenyl ester
CID 6489091
2-(4-Isopropoxy-phenyl)-2,3-dihydro-benzo[e][1,3]oxazin-4-one
CID 6489098
5-Bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-2-methoxy-benzamide
CID 11315257
2-(2-((4-Bromo-2-fluorobenzyl)carbamoyl)phenoxy)acetic acid
CID 22093457
ethyl (4S)-6-bromo-4-[(2-methoxybenzoyl)amino]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 137386135
2-p-Tolyl-2,3-dihydro-benzo[e][1,3]oxazin-4-one
CID 2844986
2-(4-ethylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
CID 3373337
2-Phenyl-2,3-dihydro-benzo[e][1,3]oxazin-4-one
CID 245504
spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one
CID 652743

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The IUPAC name of 2-(4-bromophenyl)-2,3-dihydro-1,3-benzoxazin-4-one (CID 2832472) is 2-(4-bromophenyl)-2,3-dihydro-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The canonical SMILES for 2-(4-bromophenyl)-2,3-dihydro-1,3-benzoxazin-4-one is O=C1NC(c2ccc(Br)cc2)Oc2ccccc21.
What is the InChIKey of 2-(4-bromophenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The InChIKey is CRHCSAIFTRLLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2/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-bromophenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
2-(4-bromophenyl)-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 2-(4-bromophenyl)-2,3-dihydro-1,3-benzoxazin-4-one is sourced from PubChem (CID 2832472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).