7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide

C17H13BrFNO2 — CID 38930964

IUPAC7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1cccc(F)c1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C17H13BrFNO2/c18-14-6-2-4-12-10-15(22-16(12)14)17(21)20-8-7-11-3-1-5-13(19)9-11/h1-6,9-10H,7-8H2,(H,20,21)
InChIKeyUKZLPLBVOYEYQT-UHFFFAOYSA-N
MW362.20 g/mol
LogP4.31
Rot. Bonds4

About 7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide

7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 38930964) has the molecular formula C17H13BrFNO2 and a molecular weight of 362.20 g/mol. Its IUPAC name is 7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID38930964
Molecular FormulaC17H13BrFNO2
Molecular Weight362.20 g/mol
Exact Mass361.01
IUPAC Name7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1cccc(F)c1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C17H13BrFNO2/c18-14-6-2-4-12-10-15(22-16(12)14)17(21)20-8-7-11-3-1-5-13(19)9-11/h1-6,9-10H,7-8H2,(H,20,21)
InChIKeyUKZLPLBVOYEYQT-UHFFFAOYSA-N
XLogP4.31
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide
CID 55100770
4-[(7-bromo-1-benzofuran-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832339
7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62663828
2-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid
CID 79457540
7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide
CID 82993657
N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 18118749
7-bromo-N-(2,5-difluorophenyl)-1-benzofuran-2-carboxamide
CID 38897845
4-bromo-N-[2-(4-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529086
7-bromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 47031357
N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide
CID 116650020
7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914484

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide (CID 38930964) is 7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide is O=C(NCCc1cccc(F)c1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is UKZLPLBVOYEYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNO2/c18-14-6-2-4-12-10-15(22-16(12)14)17(21)20-8-7-11-3-1-5-13(19)9-11/h1-6,9-10H,7-8H2,(H,20,21).
What are the key properties of 7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide?
7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 362.20 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 38930964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).