(5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone

C15H7BrClFO2 — CID 115809828

IUPAC(5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2cccc(F)c2o1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H7BrClFO2/c16-9-4-5-11(17)10(7-9)14(19)13-6-8-2-1-3-12(18)15(8)20-13/h1-7H
InChIKeyXYWLKLNAZTXSFI-UHFFFAOYSA-N
MW353.57 g/mol
LogP5.22
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone

(5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 115809828) has the molecular formula C15H7BrClFO2 and a molecular weight of 353.57 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
PubChem CID115809828
Molecular FormulaC15H7BrClFO2
Molecular Weight353.57 g/mol
Exact Mass351.93
IUPAC Name(5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2cccc(F)c2o1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H7BrClFO2/c16-9-4-5-11(17)10(7-9)14(19)13-6-8-2-1-3-12(18)15(8)20-13/h1-7H
InChIKeyXYWLKLNAZTXSFI-UHFFFAOYSA-N
XLogP5.22
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.57
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 106865191
(4-bromo-2-methoxyphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115810045
(2-bromo-3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107538168
(3,5-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957454
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone
CID 115810891
(3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957426
(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone
CID 114725319
(3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809878
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone
CID 114725112
(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809899
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone (CID 115809828) is (5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone is O=C(c1cc2cccc(F)c2o1)c1cc(Br)ccc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The InChIKey is XYWLKLNAZTXSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrClFO2/c16-9-4-5-11(17)10(7-9)14(19)13-6-8-2-1-3-12(18)15(8)20-13/h1-7H.
What are the key properties of (5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
(5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone has a molecular weight of 353.57 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 115809828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).