4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide

C17H13Br2NO2 — CID 112529138

IUPAC4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1ccc(Br)cc1)c1cc2c(Br)cccc2o1
InChIInChI=1S/C17H13Br2NO2/c18-12-6-4-11(5-7-12)8-9-20-17(21)16-10-13-14(19)2-1-3-15(13)22-16/h1-7,10H,8-9H2,(H,20,21)
InChIKeyUKKGGPFGEUDUKI-UHFFFAOYSA-N
MW423.10 g/mol
LogP4.93
Rot. Bonds4

About 4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide

4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 112529138) has the molecular formula C17H13Br2NO2 and a molecular weight of 423.10 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID112529138
Molecular FormulaC17H13Br2NO2
Molecular Weight423.10 g/mol
Exact Mass420.93
IUPAC Name4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1ccc(Br)cc1)c1cc2c(Br)cccc2o1
InChIInChI=1S/C17H13Br2NO2/c18-12-6-4-11(5-7-12)8-9-20-17(21)16-10-13-14(19)2-1-3-15(13)22-16/h1-7,10H,8-9H2,(H,20,21)
InChIKeyUKKGGPFGEUDUKI-UHFFFAOYSA-N
XLogP4.93
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.10
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[2-(4-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529086
N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529204
4-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529275
4-bromo-N-(3-formamidopropyl)-1-benzofuran-2-carboxamide
CID 84577585
5-bromo-N-[(4-bromophenyl)methyl]-2-oxochromene-3-carboxamide
CID 171358633
7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 38930964
N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 11638378
4-bromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide
CID 112530743
4-bromo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-benzofuran-2-carboxamide
CID 112522723
N-[2-(3,4-dihydroxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 78796682
3-[2-[(5-chlorofuran-2-carbonyl)amino]ethyl]benzoic acid
CID 63795812
N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-4-methyl-1-benzofuran-2-carboxamide
CID 138026756

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide (CID 112529138) is 4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide is O=C(NCCc1ccc(Br)cc1)c1cc2c(Br)cccc2o1.
What is the InChIKey of 4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is UKKGGPFGEUDUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Br2NO2/c18-12-6-4-11(5-7-12)8-9-20-17(21)16-10-13-14(19)2-1-3-15(13)22-16/h1-7,10H,8-9H2,(H,20,21).
What are the key properties of 4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide?
4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 423.10 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 112529138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).