2-[(7-bromo-1-benzofuran-2-carbonyl)amino]pentanoic acid

C14H14BrNO4 — CID 61389922

IUPAC2-[(7-bromo-1-benzofuran-2-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1cc2cccc(Br)c2o1)C(=O)O
InChIInChI=1S/C14H14BrNO4/c1-2-4-10(14(18)19)16-13(17)11-7-8-5-3-6-9(15)12(8)20-11/h3,5-7,10H,2,4H2,1H3,(H,16,17)(H,18,19)
InChIKeyFQYOUEPTIZGHCB-UHFFFAOYSA-N
MW340.17 g/mol
LogP3.18
Rot. Bonds5

About 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]pentanoic acid

2-[(7-bromo-1-benzofuran-2-carbonyl)amino]pentanoic acid (PubChem CID 61389922) has the molecular formula C14H14BrNO4 and a molecular weight of 340.17 g/mol. Its IUPAC name is 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(7-bromo-1-benzofuran-2-carbonyl)amino]pentanoic acid
PubChem CID61389922
Molecular FormulaC14H14BrNO4
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC Name2-[(7-bromo-1-benzofuran-2-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1cc2cccc(Br)c2o1)C(=O)O
InChIInChI=1S/C14H14BrNO4/c1-2-4-10(14(18)19)16-13(17)11-7-8-5-3-6-9(15)12(8)20-11/h3,5-7,10H,2,4H2,1H3,(H,16,17)(H,18,19)
InChIKeyFQYOUEPTIZGHCB-UHFFFAOYSA-N
XLogP3.18
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-3-methylbutanoic acid
CID 61389773
4-[(7-bromo-1-benzofuran-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832339
7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide
CID 55100770
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914484
(2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid
CID 107729511
N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
N-[1-(3-acetamidophenyl)ethyl]-7-bromo-1-benzofuran-2-carboxamide
CID 42960778
2-(2,6-dibromoanilino)pentanoic acid
CID 107598874
7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 38911138
7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide
CID 46450792
7-bromo-N-[3-(propylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46465492

Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]pentanoic acid (CID 61389922) is 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]pentanoic acid is CCCC(NC(=O)c1cc2cccc(Br)c2o1)C(=O)O.
What is the InChIKey of 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]pentanoic acid?
The InChIKey is FQYOUEPTIZGHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO4/c1-2-4-10(14(18)19)16-13(17)11-7-8-5-3-6-9(15)12(8)20-11/h3,5-7,10H,2,4H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]pentanoic acid?
2-[(7-bromo-1-benzofuran-2-carbonyl)amino]pentanoic acid has a molecular weight of 340.17 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 61389922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).