[2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate

C15H10BrFO3 — CID 19132570

IUPAC[2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate
SMILESO=C(COC(=O)c1cccc(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H10BrFO3/c16-12-6-4-10(5-7-12)14(18)9-20-15(19)11-2-1-3-13(17)8-11/h1-8H,9H2
InChIKeyYWTRXZWPXMWPRY-UHFFFAOYSA-N
MW337.14 g/mol
LogP3.63
Rot. Bonds4

About [2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate

[2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate (PubChem CID 19132570) has the molecular formula C15H10BrFO3 and a molecular weight of 337.14 g/mol. Its IUPAC name is [2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate.

Molecular Properties

Compound Name[2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate
PubChem CID19132570
Molecular FormulaC15H10BrFO3
Molecular Weight337.14 g/mol
Exact Mass335.98
IUPAC Name[2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate
SMILESO=C(COC(=O)c1cccc(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H10BrFO3/c16-12-6-4-10(5-7-12)14(18)9-20-15(19)11-2-1-3-13(17)8-11/h1-8H,9H2
InChIKeyYWTRXZWPXMWPRY-UHFFFAOYSA-N
XLogP3.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.14
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate 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

[2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 8676222
[2-(4-bromophenyl)-2-oxoethyl] 3-phenoxybenzoate
CID 7701050
[2-(4-bromophenyl)-2-oxoethyl] 4-fluoro-2-methylbenzoate
CID 4675780
[2-(3-fluorophenyl)-2-oxoethyl] 4-cyanobenzoate
CID 8666868
[(Z)-[amino-(4-bromophenyl)methylidene]amino] 3-fluorobenzoate
CID 5344873
[2-(4-bromophenyl)-2-oxoethyl] 4-ethylbenzoate
CID 874966
bis[2-(4-bromophenyl)-2-oxoethyl] 2-bromobenzene-1,3-dicarboxylate
CID 2728564
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-fluorobenzoate
CID 7874655
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 3-fluorobenzoate
CID 9198451
[2-(4-fluorophenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate
CID 55339020
[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoethyl] 3-fluorobenzoate
CID 19132510
[2-(4-benzoyloxyphenyl)-2-oxoethyl] 3-bromobenzoate
CID 1218403

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate?
The IUPAC name of [2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate (CID 19132570) is [2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate.
What is the SMILES notation for [2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate?
The canonical SMILES for [2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate is O=C(COC(=O)c1cccc(F)c1)c1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate?
The InChIKey is YWTRXZWPXMWPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFO3/c16-12-6-4-10(5-7-12)14(18)9-20-15(19)11-2-1-3-13(17)8-11/h1-8H,9H2.
What are the key properties of [2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate?
[2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate has a molecular weight of 337.14 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate is sourced from PubChem (CID 19132570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).