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

C15H14BrNO4 — CID 61218012

IUPAC1-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H14BrNO4/c16-10-5-3-4-9-8-11(21-12(9)10)13(18)17-15(14(19)20)6-1-2-7-15/h3-5,8H,1-2,6-7H2,(H,17,18)(H,19,20)
InChIKeyVYCMXYWEZWHSOD-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.32
Rot. Bonds3

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

1-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 61218012) has the molecular formula C15H14BrNO4 and a molecular weight of 352.18 g/mol. Its IUPAC name is 1-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID61218012
Molecular FormulaC15H14BrNO4
Molecular Weight352.18 g/mol
Exact Mass351.01
IUPAC Name1-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H14BrNO4/c16-10-5-3-4-9-8-11(21-12(9)10)13(18)17-15(14(19)20)6-1-2-7-15/h3-5,8H,1-2,6-7H2,(H,17,18)(H,19,20)
InChIKeyVYCMXYWEZWHSOD-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 38939482
7-bromo-N-(3-methylpyrrolidin-3-yl)-1-benzofuran-2-carboxamide
CID 107422643
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide
CID 83202941
7-bromo-1-benzofuran-2-carboxamide
CID 47331810
N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
(2S)-2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-3-methylbutanoic acid
CID 61389773
1-[(5-methoxy-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 46236390
N-(2-aminocyclopentyl)-7-bromo-1-benzofuran-2-carboxamide
CID 63251543
1-(furan-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 43151464
7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 38911138
7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 38938788

Frequently Asked Questions

What is the IUPAC name of 1-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 61218012) is 1-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is VYCMXYWEZWHSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4/c16-10-5-3-4-9-8-11(21-12(9)10)13(18)17-15(14(19)20)6-1-2-7-15/h3-5,8H,1-2,6-7H2,(H,17,18)(H,19,20).
What are the key properties of 1-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 352.18 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61218012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).