(3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone

C11H5Br2ClOS — CID 115566211

IUPAC(3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)c(Br)c1)c1sccc1Br
InChIInChI=1S/C11H5Br2ClOS/c12-7-3-4-16-11(7)10(15)6-1-2-9(14)8(13)5-6/h1-5H
InChIKeyXPSIQZWYXBOPRG-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.16
Rot. Bonds2

About (3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone

(3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone (PubChem CID 115566211) has the molecular formula C11H5Br2ClOS and a molecular weight of 380.49 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone
PubChem CID115566211
Molecular FormulaC11H5Br2ClOS
Molecular Weight380.49 g/mol
Exact Mass377.81
IUPAC Name(3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)c(Br)c1)c1sccc1Br
InChIInChI=1S/C11H5Br2ClOS/c12-7-3-4-16-11(7)10(15)6-1-2-9(14)8(13)5-6/h1-5H
InChIKeyXPSIQZWYXBOPRG-UHFFFAOYSA-N
XLogP5.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-bromo-4-chlorophenyl)-(3-bromothiophen-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

(4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80642043
(3-bromo-4-chlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 107998381
1-benzothiophen-7-yl-(3-bromo-4-chlorophenyl)methanone
CID 113336913
(3-bromo-4-chlorophenyl)-(2,4,6-trichlorophenyl)methanone
CID 107998426
(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 63797718
3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 60794257
3-bromothiophene-2-carbonyl chloride
CID 2797569
(3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone
CID 103219782
(3-bromo-4-chlorophenyl)-(4-tert-butylphenyl)methanone
CID 115565891
(3-bromothiophen-2-yl)-(5-chlorothiophen-2-yl)methanone
CID 63797030
(3-bromo-4-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 107998192
(3-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096206

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone?
The IUPAC name of (3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone (CID 115566211) is (3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone is O=C(c1ccc(Cl)c(Br)c1)c1sccc1Br.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone?
The InChIKey is XPSIQZWYXBOPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2ClOS/c12-7-3-4-16-11(7)10(15)6-1-2-9(14)8(13)5-6/h1-5H.
What are the key properties of (3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone?
(3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone has a molecular weight of 380.49 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone is sourced from PubChem (CID 115566211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).