N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride

C16H21ClN2O2 — CID 119602924

IUPACN-[2-(aminomethyl)cyclopentyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1ccc2oc(C(=O)NC3CCCC3CN)cc2c1.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-10-5-6-14-12(7-10)8-15(20-14)16(19)18-13-4-2-3-11(13)9-17;/h5-8,11,13H,2-4,9,17H2,1H3,(H,18,19);1H
InChIKeyLURZNERIYUSZFW-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.02
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119602924) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119602924
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1ccc2oc(C(=O)NC3CCCC3CN)cc2c1.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-10-5-6-14-12(7-10)8-15(20-14)16(19)18-13-4-2-3-11(13)9-17;/h5-8,11,13H,2-4,9,17H2,1H3,(H,18,19);1H
InChIKeyLURZNERIYUSZFW-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119600706
N-(2-carbamothioylcyclopentyl)-5-methyl-1-benzofuran-2-carboxamide
CID 62955877
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
[2-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 114736859
5-amino-N-(2-methylcyclopentyl)-1-benzofuran-2-carboxamide
CID 63277574
N-[2-(aminomethyl)cyclopentyl]-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119604312
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 120946334
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1-benzofuran-2-carboxamide
CID 50949241
N-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 63753713
N-[2-(aminomethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 119605138
N-(2-fluorocyclopentyl)-1-benzofuran-2-carboxamide
CID 126857780
[4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 114737007

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride (CID 119602924) is N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride is Cc1ccc2oc(C(=O)NC3CCCC3CN)cc2c1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is LURZNERIYUSZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.ClH/c1-10-5-6-14-12(7-10)8-15(20-14)16(19)18-13-4-2-3-11(13)9-17;/h5-8,11,13H,2-4,9,17H2,1H3,(H,18,19);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119602924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).