1-(3-bromophenyl)-3-(3-chloro-5-fluorophenyl)propan-1-one

C15H11BrClFO — CID 24726555

IUPAC1-(3-bromophenyl)-3-(3-chloro-5-fluorophenyl)propan-1-one
SMILESO=C(CCc1cc(F)cc(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C15H11BrClFO/c16-12-3-1-2-11(8-12)15(19)5-4-10-6-13(17)9-14(18)7-10/h1-3,6-9H,4-5H2
InChIKeyRJFGTRVYLHFDBR-UHFFFAOYSA-N
MW341.61 g/mol
LogP5.06
Rot. Bonds4

About 1-(3-bromophenyl)-3-(3-chloro-5-fluorophenyl)propan-1-one

1-(3-bromophenyl)-3-(3-chloro-5-fluorophenyl)propan-1-one (PubChem CID 24726555) has the molecular formula C15H11BrClFO and a molecular weight of 341.61 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(3-chloro-5-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(3-chloro-5-fluorophenyl)propan-1-one
PubChem CID24726555
Molecular FormulaC15H11BrClFO
Molecular Weight341.61 g/mol
Exact Mass339.97
IUPAC Name1-(3-bromophenyl)-3-(3-chloro-5-fluorophenyl)propan-1-one
SMILESO=C(CCc1cc(F)cc(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C15H11BrClFO/c16-12-3-1-2-11(8-12)15(19)5-4-10-6-13(17)9-14(18)7-10/h1-3,6-9H,4-5H2
InChIKeyRJFGTRVYLHFDBR-UHFFFAOYSA-N
XLogP5.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.61
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromophenyl)-3-(3-chloro-5-fluorophenyl)propan-1-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

3-(3-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)propan-1-one
CID 24726545
3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726035
1-(3-bromophenyl)-2-(3-fluorophenyl)ethanone
CID 24723944
1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one
CID 24726182
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103805205
1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103047928
1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanone
CID 63526481
1-(3-bromophenyl)butan-1-one
CID 18417701
1-(3-bromophenyl)-4-(2-chlorophenyl)butane-1,4-dione
CID 90363452
3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride
CID 91971197
1-(3-bromophenyl)-2-[(3-chlorophenyl)methyl-methylamino]ethanone
CID 62051685
1-(3-bromophenyl)-2-(4-bromophenyl)ethanone
CID 55026809

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(3-chloro-5-fluorophenyl)propan-1-one?
The IUPAC name of 1-(3-bromophenyl)-3-(3-chloro-5-fluorophenyl)propan-1-one (CID 24726555) is 1-(3-bromophenyl)-3-(3-chloro-5-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-(3-bromophenyl)-3-(3-chloro-5-fluorophenyl)propan-1-one?
The canonical SMILES for 1-(3-bromophenyl)-3-(3-chloro-5-fluorophenyl)propan-1-one is O=C(CCc1cc(F)cc(Cl)c1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(3-chloro-5-fluorophenyl)propan-1-one?
The InChIKey is RJFGTRVYLHFDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO/c16-12-3-1-2-11(8-12)15(19)5-4-10-6-13(17)9-14(18)7-10/h1-3,6-9H,4-5H2.
What are the key properties of 1-(3-bromophenyl)-3-(3-chloro-5-fluorophenyl)propan-1-one?
1-(3-bromophenyl)-3-(3-chloro-5-fluorophenyl)propan-1-one has a molecular weight of 341.61 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(3-chloro-5-fluorophenyl)propan-1-one is sourced from PubChem (CID 24726555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).