(4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone

C11H5Br2ClOS — CID 43344984

IUPAC(4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cc(Br)sc1Br
InChIInChI=1S/C11H5Br2ClOS/c12-9-5-8(11(13)16-9)10(15)6-1-3-7(14)4-2-6/h1-5H
InChIKeyIIZFGKAWQDLYEP-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.16
Rot. Bonds2

About (4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone

(4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone (PubChem CID 43344984) has the molecular formula C11H5Br2ClOS and a molecular weight of 380.49 g/mol. Its IUPAC name is (4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone
PubChem CID43344984
Molecular FormulaC11H5Br2ClOS
Molecular Weight380.49 g/mol
Exact Mass377.81
IUPAC Name(4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cc(Br)sc1Br
InChIInChI=1S/C11H5Br2ClOS/c12-9-5-8(11(13)16-9)10(15)6-1-3-7(14)4-2-6/h1-5H
InChIKeyIIZFGKAWQDLYEP-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

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Related Compounds

(4-cyclobutylphenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967818
(2,5-dibromothiophen-3-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107967908
(2,5-dibromothiophen-3-yl)-(furan-3-yl)methanone
CID 43463819
(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone
CID 15918246
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967891
(2-chloro-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 43344961
(2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone
CID 107960219
(3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 81266841
(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107960074
2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide
CID 107961994
(2,5-dibromothiophen-3-yl)-(3-methoxyphenyl)methanone
CID 43344972
2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide
CID 113237204

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone (CID 43344984) is (4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone is O=C(c1ccc(Cl)cc1)c1cc(Br)sc1Br.
What is the InChIKey of (4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone?
The InChIKey is IIZFGKAWQDLYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2ClOS/c12-9-5-8(11(13)16-9)10(15)6-1-3-7(14)4-2-6/h1-5H.
What are the key properties of (4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone?
(4-chlorophenyl)-(2,5-dibromothiophen-3-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 (4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone is sourced from PubChem (CID 43344984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).