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

C15H14BrNO4 — CID 64813713

IUPAC2-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H14BrNO4/c16-10-5-1-3-8-7-12(21-13(8)10)14(18)17-11-6-2-4-9(11)15(19)20/h1,3,5,7,9,11H,2,4,6H2,(H,17,18)(H,19,20)
InChIKeyTWUMOPLCFHAONW-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.18
Rot. Bonds3

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

2-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 64813713) has the molecular formula C15H14BrNO4 and a molecular weight of 352.18 g/mol. Its IUPAC name is 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID64813713
Molecular FormulaC15H14BrNO4
Molecular Weight352.18 g/mol
Exact Mass351.01
IUPAC Name2-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H14BrNO4/c16-10-5-1-3-8-7-12(21-13(8)10)14(18)17-11-6-2-4-9(11)15(19)20/h1,3,5,7,9,11H,2,4,6H2,(H,17,18)(H,19,20)
InChIKeyTWUMOPLCFHAONW-UHFFFAOYSA-N
XLogP3.18
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclopentyl)-7-bromo-1-benzofuran-2-carboxamide
CID 63251543
7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 38911138
4-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79192686
7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide
CID 83202941
7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide
CID 106995228
N-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide
CID 55688262
1-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 61218012
2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107938073
7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62663828
1-(7-bromo-1-benzofuran-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775821
7-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide
CID 111696730
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383

Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 64813713) is 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1CCCC1C(=O)O)c1cc2cccc(Br)c2o1.
What is the InChIKey of 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is TWUMOPLCFHAONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4/c16-10-5-1-3-8-7-12(21-13(8)10)14(18)17-11-6-2-4-9(11)15(19)20/h1,3,5,7,9,11H,2,4,6H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
2-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 352.18 g/mol, XLogP of 3.18, 3 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]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64813713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).