(4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone

C15H7BrCl2O2 — CID 115810821

IUPAC(4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
SMILESO=C(c1ccc(Br)c(Cl)c1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C15H7BrCl2O2/c16-10-5-4-8(6-12(10)18)14(19)13-7-9-2-1-3-11(17)15(9)20-13/h1-7H
InChIKeyDBGJEPBZYFAWRX-UHFFFAOYSA-N
MW370.03 g/mol
LogP5.73
Rot. Bonds2

About (4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone

(4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone (PubChem CID 115810821) has the molecular formula C15H7BrCl2O2 and a molecular weight of 370.03 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
PubChem CID115810821
Molecular FormulaC15H7BrCl2O2
Molecular Weight370.03 g/mol
Exact Mass367.90
IUPAC Name(4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
SMILESO=C(c1ccc(Br)c(Cl)c1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C15H7BrCl2O2/c16-10-5-4-8(6-12(10)18)14(19)13-7-9-2-1-3-11(17)15(9)20-13/h1-7H
InChIKeyDBGJEPBZYFAWRX-UHFFFAOYSA-N
XLogP5.73
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.03
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525
(3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810874
(7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 63547938
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone
CID 114725112
(3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 114726075
(7-chloro-1-benzofuran-2-yl)-(3,5-dibromo-2-pyridinyl)methanone
CID 114726081
(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone
CID 114725319
(7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone
CID 114726090
(7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 115810708
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone
CID 115810891
(7-chloro-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone
CID 105133326
(7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone
CID 112614526

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone (CID 115810821) is (4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone is O=C(c1ccc(Br)c(Cl)c1)c1cc2cccc(Cl)c2o1.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone?
The InChIKey is DBGJEPBZYFAWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrCl2O2/c16-10-5-4-8(6-12(10)18)14(19)13-7-9-2-1-3-11(17)15(9)20-13/h1-7H.
What are the key properties of (4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone?
(4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone has a molecular weight of 370.03 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 115810821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).