1-(3-bromo-5-chlorophenyl)-2-(5-bromothiophen-2-yl)ethanone

C12H7Br2ClOS — CID 107944362

IUPAC1-(3-bromo-5-chlorophenyl)-2-(5-bromothiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(Br)s1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H7Br2ClOS/c13-8-3-7(4-9(15)5-8)11(16)6-10-1-2-12(14)17-10/h1-5H,6H2
InChIKeyAXGCKBSWUMZEFK-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.35
Rot. Bonds3

About 1-(3-bromo-5-chlorophenyl)-2-(5-bromothiophen-2-yl)ethanone

1-(3-bromo-5-chlorophenyl)-2-(5-bromothiophen-2-yl)ethanone (PubChem CID 107944362) has the molecular formula C12H7Br2ClOS and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-(5-bromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-(5-bromothiophen-2-yl)ethanone
PubChem CID107944362
Molecular FormulaC12H7Br2ClOS
Molecular Weight394.52 g/mol
Exact Mass391.83
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-(5-bromothiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(Br)s1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H7Br2ClOS/c13-8-3-7(4-9(15)5-8)11(16)6-10-1-2-12(14)17-10/h1-5H,6H2
InChIKeyAXGCKBSWUMZEFK-UHFFFAOYSA-N
XLogP5.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone
CID 114967348
1-(3-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 82809288
1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 107944354
2-(5-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone
CID 62620241
1-(3-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 62620401
1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 114894393
2-(5-bromothiophen-2-yl)-1-(3-iodophenyl)ethanone
CID 114967386
2-(5-bromothiophen-2-yl)-1-(3,4-diethoxyphenyl)ethanone
CID 114967422
2-(5-bromothiophen-2-yl)-1-(2,5-dibromophenyl)ethanone
CID 114967419
2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethanone
CID 107944363
methyl 2-[5-(3-bromo-5-chlorobenzoyl)thiophen-2-yl]acetate
CID 107950021
1-(3-bromo-5-chlorophenyl)-2-(4-tert-butylphenyl)ethanone
CID 107944369

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(5-bromothiophen-2-yl)ethanone?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(5-bromothiophen-2-yl)ethanone (CID 107944362) is 1-(3-bromo-5-chlorophenyl)-2-(5-bromothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-(5-bromothiophen-2-yl)ethanone?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-(5-bromothiophen-2-yl)ethanone is O=C(Cc1ccc(Br)s1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-(5-bromothiophen-2-yl)ethanone?
The InChIKey is AXGCKBSWUMZEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2ClOS/c13-8-3-7(4-9(15)5-8)11(16)6-10-1-2-12(14)17-10/h1-5H,6H2.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-(5-bromothiophen-2-yl)ethanone?
1-(3-bromo-5-chlorophenyl)-2-(5-bromothiophen-2-yl)ethanone has a molecular weight of 394.52 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-2-(5-bromothiophen-2-yl)ethanone is sourced from PubChem (CID 107944362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).