1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone

C16H10BrClO2 — CID 105078047

IUPAC1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H10BrClO2/c17-13-3-1-2-11-9-15(20-16(11)13)14(19)8-10-4-6-12(18)7-5-10/h1-7,9H,8H2
InChIKeyJCPCPATWQOSAMZ-UHFFFAOYSA-N
MW349.61 g/mol
LogP5.27
Rot. Bonds3

About 1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone

1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone (PubChem CID 105078047) has the molecular formula C16H10BrClO2 and a molecular weight of 349.61 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone
PubChem CID105078047
Molecular FormulaC16H10BrClO2
Molecular Weight349.61 g/mol
Exact Mass347.96
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H10BrClO2/c17-13-3-1-2-11-9-15(20-16(11)13)14(19)8-10-4-6-12(18)7-5-10/h1-7,9H,8H2
InChIKeyJCPCPATWQOSAMZ-UHFFFAOYSA-N
XLogP5.27
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.61
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-2-(4-fluorophenyl)ethanone
CID 105078433
1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)ethanone
CID 105126036
7-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 55684638
2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114724990
(7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 63547938
1-(7-bromo-1-benzofuran-2-yl)-4,4-dimethylpentan-1-one
CID 105093405
7-bromo-1-benzofuran-2-carboxamide
CID 47331810
7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 46460415
1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone
CID 102826685
N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide
CID 116650020
(7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 105124504
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone (CID 105078047) is 1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone is O=C(Cc1ccc(Cl)cc1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone?
The InChIKey is JCPCPATWQOSAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClO2/c17-13-3-1-2-11-9-15(20-16(11)13)14(19)8-10-4-6-12(18)7-5-10/h1-7,9H,8H2.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone?
1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone has a molecular weight of 349.61 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone is sourced from PubChem (CID 105078047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).