1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanone

C12H7Br2ClOS — CID 114969808

IUPAC1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanone
SMILESO=C(Cc1sccc1Br)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H7Br2ClOS/c13-8-2-1-7(5-10(8)15)11(16)6-12-9(14)3-4-17-12/h1-5H,6H2
InChIKeyVEAGSCTXCUNMRB-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.35
Rot. Bonds3

About 1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanone

1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanone (PubChem CID 114969808) has the molecular formula C12H7Br2ClOS and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanone
PubChem CID114969808
Molecular FormulaC12H7Br2ClOS
Molecular Weight394.52 g/mol
Exact Mass391.83
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanone
SMILESO=C(Cc1sccc1Br)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H7Br2ClOS/c13-8-2-1-7(5-10(8)15)11(16)6-12-9(14)3-4-17-12/h1-5H,6H2
InChIKeyVEAGSCTXCUNMRB-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-(3-bromothiophen-2-yl)-1-(3-chlorophenyl)ethanone
CID 62620007
1-(3-bromo-4-fluorophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 82808650
2-(3-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone
CID 114969798
2-(3-bromothiophen-2-yl)-1-(2-chlorophenyl)ethanone
CID 62621967
2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 114969698
1-(4-bromo-3-chlorophenyl)-2-phenylethanone
CID 81296102
2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone
CID 62622434
1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 115796114
1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone
CID 164654006
1-(4-bromo-3-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107311568
1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967193
2-(3-bromothiophen-2-yl)-1-(2,4,6-trifluorophenyl)ethanone
CID 114969743

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanone?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanone (CID 114969808) is 1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanone?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanone is O=C(Cc1sccc1Br)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanone?
The InChIKey is VEAGSCTXCUNMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2ClOS/c13-8-2-1-7(5-10(8)15)11(16)6-12-9(14)3-4-17-12/h1-5H,6H2.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanone?
1-(4-bromo-3-chlorophenyl)-2-(3-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-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanone is sourced from PubChem (CID 114969808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).