7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide

C14H14BrNO3 — CID 83202941

IUPAC7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide
SMILESO=C(NOC1CCCC1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C14H14BrNO3/c15-11-7-3-4-9-8-12(18-13(9)11)14(17)16-19-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6H2,(H,16,17)
InChIKeyWLGVCTSNXYBVDA-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.80
Rot. Bonds3

About 7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide

7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide (PubChem CID 83202941) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide
PubChem CID83202941
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide
SMILESO=C(NOC1CCCC1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C14H14BrNO3/c15-11-7-3-4-9-8-12(18-13(9)11)14(17)16-19-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6H2,(H,16,17)
InChIKeyWLGVCTSNXYBVDA-UHFFFAOYSA-N
XLogP3.80
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminocyclopentyl)-7-bromo-1-benzofuran-2-carboxamide
CID 63251543
7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62663828
2-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813713
5-bromo-N-cyclopentyloxyfuran-2-carboxamide
CID 83202863
7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 38911138
7-bromo-1-benzofuran-2-carboxamide
CID 47331810
(3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone
CID 65244577
1-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 61218012
4-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79192686
methyl 1-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 38939482
N-cyclopentyloxyfuran-2-carboxamide
CID 83201943
7-bromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 47031357

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide (CID 83202941) is 7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide is O=C(NOC1CCCC1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide?
The InChIKey is WLGVCTSNXYBVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c15-11-7-3-4-9-8-12(18-13(9)11)14(17)16-19-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6H2,(H,16,17).
What are the key properties of 7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide?
7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide has a molecular weight of 324.17 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 83202941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).