3-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride

C16H21ClN2O2 — CID 119789555

IUPAC3-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1c(CNC(=O)C2CCC(N)C2)oc2ccccc12.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-10-13-4-2-3-5-14(13)20-15(10)9-18-16(19)11-6-7-12(17)8-11;/h2-5,11-12H,6-9,17H2,1H3,(H,18,19);1H
InChIKeyFIACDUYZQPQMBH-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.91
Rot. Bonds3

About 3-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119789555) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 3-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119789555
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name3-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1c(CNC(=O)C2CCC(N)C2)oc2ccccc12.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-10-13-4-2-3-5-14(13)20-15(10)9-18-16(19)11-6-7-12(17)8-11;/h2-5,11-12H,6-9,17H2,1H3,(H,18,19);1H
InChIKeyFIACDUYZQPQMBH-UHFFFAOYSA-N
XLogP2.91
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119754048
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclohexane-1-carboxamide
CID 135089831
2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
CID 119789569
4-hydroxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119789564
2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 83620719
(1S,3R,4R)-3-[(2-aminopyrimidin-4-yl)amino]-4-hydroxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclohexane-1-carboxamide;formic acid
CID 154922742
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 91834584
1-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119327004
N-[4-[(3-methyl-1-benzofuran-2-yl)methylcarbamoyl]cyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 169417784
N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide;hydrochloride
CID 143612119
3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119673508

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119789555) is 3-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride is Cc1c(CNC(=O)C2CCC(N)C2)oc2ccccc12.Cl.
What is the InChIKey of 3-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is FIACDUYZQPQMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.ClH/c1-10-13-4-2-3-5-14(13)20-15(10)9-18-16(19)11-6-7-12(17)8-11;/h2-5,11-12H,6-9,17H2,1H3,(H,18,19);1H.
What are the key properties of 3-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119789555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).