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

C11H5BrCl2OS — CID 107987212

IUPAC(2-bromo-4-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Br)c1sccc1Cl
InChIInChI=1S/C11H5BrCl2OS/c12-8-5-6(13)1-2-7(8)10(15)11-9(14)3-4-16-11/h1-5H
InChIKeyZWFACWQFNHSZBF-UHFFFAOYSA-N
MW336.04 g/mol
LogP5.05
Rot. Bonds2

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

(2-bromo-4-chlorophenyl)-(3-chlorothiophen-2-yl)methanone (PubChem CID 107987212) has the molecular formula C11H5BrCl2OS and a molecular weight of 336.04 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(3-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
PubChem CID107987212
Molecular FormulaC11H5BrCl2OS
Molecular Weight336.04 g/mol
Exact Mass333.86
IUPAC Name(2-bromo-4-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Br)c1sccc1Cl
InChIInChI=1S/C11H5BrCl2OS/c12-8-5-6(13)1-2-7(8)10(15)11-9(14)3-4-16-11/h1-5H
InChIKeyZWFACWQFNHSZBF-UHFFFAOYSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.04
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid
CID 114024343
(2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80644949
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107987246
(4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80645435
(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanone
CID 80644952
(4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80642043
(2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 107987161
(2-bromo-4-chlorophenyl)-(2-fluorophenyl)methanone
CID 107996260
(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone
CID 107996333
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methanone
CID 114024411
(4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107994531
(5-bromo-4-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanone
CID 80530149

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(3-chlorothiophen-2-yl)methanone?
The IUPAC name of (2-bromo-4-chlorophenyl)-(3-chlorothiophen-2-yl)methanone (CID 107987212) is (2-bromo-4-chlorophenyl)-(3-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(3-chlorothiophen-2-yl)methanone?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(3-chlorothiophen-2-yl)methanone is O=C(c1ccc(Cl)cc1Br)c1sccc1Cl.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(3-chlorothiophen-2-yl)methanone?
The InChIKey is ZWFACWQFNHSZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl2OS/c12-8-5-6(13)1-2-7(8)10(15)11-9(14)3-4-16-11/h1-5H.
What are the key properties of (2-bromo-4-chlorophenyl)-(3-chlorothiophen-2-yl)methanone?
(2-bromo-4-chlorophenyl)-(3-chlorothiophen-2-yl)methanone has a molecular weight of 336.04 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(3-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 107987212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).