N-[1-(aminomethyl)cyclopentyl]-1-benzofuran-3-carboxamide;hydrochloride

C15H19ClN2O2 — CID 119568451

IUPACN-[1-(aminomethyl)cyclopentyl]-1-benzofuran-3-carboxamide;hydrochloride
SMILESCl.NCC1(NC(=O)c2coc3ccccc23)CCCC1
InChIInChI=1S/C15H18N2O2.ClH/c16-10-15(7-3-4-8-15)17-14(18)12-9-19-13-6-2-1-5-11(12)13;/h1-2,5-6,9H,3-4,7-8,10,16H2,(H,17,18);1H
InChIKeyCTFADKLEVHOKIW-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.86
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-1-benzofuran-3-carboxamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-1-benzofuran-3-carboxamide;hydrochloride (PubChem CID 119568451) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1-benzofuran-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1-benzofuran-3-carboxamide;hydrochloride
PubChem CID119568451
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1-benzofuran-3-carboxamide;hydrochloride
SMILESCl.NCC1(NC(=O)c2coc3ccccc23)CCCC1
InChIInChI=1S/C15H18N2O2.ClH/c16-10-15(7-3-4-8-15)17-14(18)12-9-19-13-6-2-1-5-11(12)13;/h1-2,5-6,9H,3-4,7-8,10,16H2,(H,17,18);1H
InChIKeyCTFADKLEVHOKIW-UHFFFAOYSA-N
XLogP2.86
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
CID 113313648
N-[1-(aminomethyl)cyclopentyl]naphthalene-1-carboxamide
CID 63753414
N-[1-(chloromethyl)-3-methylcyclohexyl]-1-benzofuran-3-carboxamide
CID 114304149
N-[1-(bromomethyl)-4-methylcyclohexyl]-1-benzofuran-3-carboxamide
CID 114315093
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-benzofuran-3-carboxamide
CID 115364391
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
CID 115456089
2-[1-[(1-benzofuran-3-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81165190
N-[1-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzamide
CID 79217970
N-[1-(aminomethyl)cyclopentyl]isoquinoline-1-carboxamide;dihydrochloride
CID 119566360
N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide
CID 103726467
N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride
CID 119567613
N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide
CID 104872934

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-benzofuran-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-benzofuran-3-carboxamide;hydrochloride (CID 119568451) is N-[1-(aminomethyl)cyclopentyl]-1-benzofuran-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1-benzofuran-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1-benzofuran-3-carboxamide;hydrochloride is Cl.NCC1(NC(=O)c2coc3ccccc23)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1-benzofuran-3-carboxamide;hydrochloride?
The InChIKey is CTFADKLEVHOKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2.ClH/c16-10-15(7-3-4-8-15)17-14(18)12-9-19-13-6-2-1-5-11(12)13;/h1-2,5-6,9H,3-4,7-8,10,16H2,(H,17,18);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1-benzofuran-3-carboxamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-1-benzofuran-3-carboxamide;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1-benzofuran-3-carboxamide;hydrochloride is sourced from PubChem (CID 119568451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).