5-amino-N-(2-methylcyclopentyl)-1-benzofuran-2-carboxamide

C15H18N2O2 — CID 63277574

IUPAC5-amino-N-(2-methylcyclopentyl)-1-benzofuran-2-carboxamide
SMILESCC1CCCC1NC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C15H18N2O2/c1-9-3-2-4-12(9)17-15(18)14-8-10-7-11(16)5-6-13(10)19-14/h5-9,12H,2-4,16H2,1H3,(H,17,18)
InChIKeyMGZXGINBAGFGEI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.93
Rot. Bonds2

About 5-amino-N-(2-methylcyclopentyl)-1-benzofuran-2-carboxamide

5-amino-N-(2-methylcyclopentyl)-1-benzofuran-2-carboxamide (PubChem CID 63277574) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-amino-N-(2-methylcyclopentyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-methylcyclopentyl)-1-benzofuran-2-carboxamide
PubChem CID63277574
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-amino-N-(2-methylcyclopentyl)-1-benzofuran-2-carboxamide
SMILESCC1CCCC1NC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C15H18N2O2/c1-9-3-2-4-12(9)17-15(18)14-8-10-7-11(16)5-6-13(10)19-14/h5-9,12H,2-4,16H2,1H3,(H,17,18)
InChIKeyMGZXGINBAGFGEI-UHFFFAOYSA-N
XLogP2.93
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methylcyclopentyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-(2-methylcyclopentyl)-1-benzofuran-2-carboxamide (CID 63277574) is 5-amino-N-(2-methylcyclopentyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-methylcyclopentyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-methylcyclopentyl)-1-benzofuran-2-carboxamide is CC1CCCC1NC(=O)c1cc2cc(N)ccc2o1.
What is the InChIKey of 5-amino-N-(2-methylcyclopentyl)-1-benzofuran-2-carboxamide?
The InChIKey is MGZXGINBAGFGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-3-2-4-12(9)17-15(18)14-8-10-7-11(16)5-6-13(10)19-14/h5-9,12H,2-4,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-N-(2-methylcyclopentyl)-1-benzofuran-2-carboxamide?
5-amino-N-(2-methylcyclopentyl)-1-benzofuran-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methylcyclopentyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 63277574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).