(2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone

C15H7Br2FO2 — CID 107944793

IUPAC(2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2o1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H7Br2FO2/c16-9-1-3-11(12(17)7-9)15(19)14-6-8-5-10(18)2-4-13(8)20-14/h1-7H
InChIKeyLQEWHNNKAMCDGZ-UHFFFAOYSA-N
MW398.03 g/mol
LogP5.33
Rot. Bonds2

About (2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone

(2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 107944793) has the molecular formula C15H7Br2FO2 and a molecular weight of 398.03 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
PubChem CID107944793
Molecular FormulaC15H7Br2FO2
Molecular Weight398.03 g/mol
Exact Mass395.88
IUPAC Name(2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2o1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H7Br2FO2/c16-9-1-3-11(12(17)7-9)15(19)14-6-8-5-10(18)2-4-13(8)20-14/h1-7H
InChIKeyLQEWHNNKAMCDGZ-UHFFFAOYSA-N
XLogP5.33
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.03
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone 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-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115808106
(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114724999
(2-bromo-3,4-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 107538000
(3,5-dibromo-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114726080
(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 115808883
(5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 113338112
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114725891
(2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 114736998
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanone
CID 105132409
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 115808993
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
The IUPAC name of (2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone (CID 107944793) is (2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone is O=C(c1cc2cc(F)ccc2o1)c1ccc(Br)cc1Br.
What is the InChIKey of (2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
The InChIKey is LQEWHNNKAMCDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Br2FO2/c16-9-1-3-11(12(17)7-9)15(19)14-6-8-5-10(18)2-4-13(8)20-14/h1-7H.
What are the key properties of (2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
(2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone has a molecular weight of 398.03 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 107944793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).