(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanone

C13H7BrClFO — CID 15941367

IUPAC(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H7BrClFO/c14-9-3-6-12(15)11(7-9)13(17)8-1-4-10(16)5-2-8/h1-7H
InChIKeyLVILQFKAGQFQEK-UHFFFAOYSA-N
MW313.55 g/mol
LogP4.47
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanone

(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanone (PubChem CID 15941367) has the molecular formula C13H7BrClFO and a molecular weight of 313.55 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanone
PubChem CID15941367
Molecular FormulaC13H7BrClFO
Molecular Weight313.55 g/mol
Exact Mass311.94
IUPAC Name(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H7BrClFO/c14-9-3-6-12(15)11(7-9)13(17)8-1-4-10(16)5-2-8/h1-7H
InChIKeyLVILQFKAGQFQEK-UHFFFAOYSA-N
XLogP4.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.55
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanone (CID 15941367) is (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1cc(Br)ccc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanone?
The InChIKey is LVILQFKAGQFQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFO/c14-9-3-6-12(15)11(7-9)13(17)8-1-4-10(16)5-2-8/h1-7H.
What are the key properties of (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanone?
(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanone has a molecular weight of 313.55 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 15941367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).