6-bromo-N-[2-(2-chlorophenyl)ethyl]-1-benzofuran-2-carboxamide

C17H13BrClNO2 — CID 112529403

IUPAC6-bromo-N-[2-(2-chlorophenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1ccccc1Cl)c1cc2ccc(Br)cc2o1
InChIInChI=1S/C17H13BrClNO2/c18-13-6-5-12-9-16(22-15(12)10-13)17(21)20-8-7-11-3-1-2-4-14(11)19/h1-6,9-10H,7-8H2,(H,20,21)
InChIKeyFQQFLGXKOLRANZ-UHFFFAOYSA-N
MW378.65 g/mol
LogP4.82
Rot. Bonds4

About 6-bromo-N-[2-(2-chlorophenyl)ethyl]-1-benzofuran-2-carboxamide

6-bromo-N-[2-(2-chlorophenyl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 112529403) has the molecular formula C17H13BrClNO2 and a molecular weight of 378.65 g/mol. Its IUPAC name is 6-bromo-N-[2-(2-chlorophenyl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(2-chlorophenyl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID112529403
Molecular FormulaC17H13BrClNO2
Molecular Weight378.65 g/mol
Exact Mass376.98
IUPAC Name6-bromo-N-[2-(2-chlorophenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1ccccc1Cl)c1cc2ccc(Br)cc2o1
InChIInChI=1S/C17H13BrClNO2/c18-13-6-5-12-9-16(22-15(12)10-13)17(21)20-8-7-11-3-1-2-4-14(11)19/h1-6,9-10H,7-8H2,(H,20,21)
InChIKeyFQQFLGXKOLRANZ-UHFFFAOYSA-N
XLogP4.82
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.65
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-[(2-fluorophenyl)methyl]-1-benzofuran-2-carboxamide
CID 84577117
6-bromo-N-(2,6-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 112525306
N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529204
7-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-oxoisochromene-3-carboxamide
CID 172905649
6-bromo-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 112520679
6-bromo-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
CID 112530111
1-[(4-bromophenyl)methyl]-3-[2-(2-chlorophenyl)ethyl]urea
CID 108899597
5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide
CID 2988849
N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
CID 119494957
N-[2-(3-chlorophenyl)ethyl]-6-methyl-1-benzofuran-2-carboxamide
CID 112529537
5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 55659264
N-[2-(3,4-dihydroxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 78796682

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(2-chlorophenyl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 6-bromo-N-[2-(2-chlorophenyl)ethyl]-1-benzofuran-2-carboxamide (CID 112529403) is 6-bromo-N-[2-(2-chlorophenyl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(2-chlorophenyl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(2-chlorophenyl)ethyl]-1-benzofuran-2-carboxamide is O=C(NCCc1ccccc1Cl)c1cc2ccc(Br)cc2o1.
What is the InChIKey of 6-bromo-N-[2-(2-chlorophenyl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is FQQFLGXKOLRANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClNO2/c18-13-6-5-12-9-16(22-15(12)10-13)17(21)20-8-7-11-3-1-2-4-14(11)19/h1-6,9-10H,7-8H2,(H,20,21).
What are the key properties of 6-bromo-N-[2-(2-chlorophenyl)ethyl]-1-benzofuran-2-carboxamide?
6-bromo-N-[2-(2-chlorophenyl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 378.65 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(2-chlorophenyl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 112529403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).