(2,4-dibromophenyl)-(2,5-dichlorothiophen-3-yl)methanone

C11H4Br2Cl2OS — CID 107949791

IUPAC(2,4-dibromophenyl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESO=C(c1ccc(Br)cc1Br)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H4Br2Cl2OS/c12-5-1-2-6(8(13)3-5)10(16)7-4-9(14)17-11(7)15/h1-4H
InChIKeyZTNSCJDZBMQQOG-UHFFFAOYSA-N
MW414.93 g/mol
LogP5.81
Rot. Bonds2

About (2,4-dibromophenyl)-(2,5-dichlorothiophen-3-yl)methanone

(2,4-dibromophenyl)-(2,5-dichlorothiophen-3-yl)methanone (PubChem CID 107949791) has the molecular formula C11H4Br2Cl2OS and a molecular weight of 414.93 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(2,5-dichlorothiophen-3-yl)methanone.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(2,5-dichlorothiophen-3-yl)methanone
PubChem CID107949791
Molecular FormulaC11H4Br2Cl2OS
Molecular Weight414.93 g/mol
Exact Mass411.77
IUPAC Name(2,4-dibromophenyl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESO=C(c1ccc(Br)cc1Br)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H4Br2Cl2OS/c12-5-1-2-6(8(13)3-5)10(16)7-4-9(14)17-11(7)15/h1-4H
InChIKeyZTNSCJDZBMQQOG-UHFFFAOYSA-N
XLogP5.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.93
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43378893
(2-chlorophenyl)-(2,4-dibromophenyl)methanone
CID 107944284
(3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107949792
(2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43344763
(2,4-dibromophenyl)-(2,3-dichlorophenyl)methanone
CID 107944424
(3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43248312
(2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone
CID 107967869
N-(5-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103604536
N'-(2-bromobenzoyl)-2,5-dichlorothiophene-3-carbohydrazide
CID 27672192
2,4-dibromobenzoic acid
CID 11896
6-bromo-7-(2,5-dichlorothiophene-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 107959929
N-(4-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 102674220

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The IUPAC name of (2,4-dibromophenyl)-(2,5-dichlorothiophen-3-yl)methanone (CID 107949791) is (2,4-dibromophenyl)-(2,5-dichlorothiophen-3-yl)methanone.
What is the SMILES notation for (2,4-dibromophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The canonical SMILES for (2,4-dibromophenyl)-(2,5-dichlorothiophen-3-yl)methanone is O=C(c1ccc(Br)cc1Br)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,4-dibromophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The InChIKey is ZTNSCJDZBMQQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Br2Cl2OS/c12-5-1-2-6(8(13)3-5)10(16)7-4-9(14)17-11(7)15/h1-4H.
What are the key properties of (2,4-dibromophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
(2,4-dibromophenyl)-(2,5-dichlorothiophen-3-yl)methanone has a molecular weight of 414.93 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(2,5-dichlorothiophen-3-yl)methanone is sourced from PubChem (CID 107949791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).