4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride

C15H21ClN2O2 — CID 119564862

IUPAC4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride
SMILESCC(=O)c1ccc(C(=O)NC2(CN)CCCC2)cc1.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-11(18)12-4-6-13(7-5-12)14(19)17-15(10-16)8-2-3-9-15;/h4-7H,2-3,8-10,16H2,1H3,(H,17,19);1H
InChIKeyMQQSNIWMIAKBER-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.31
Rot. Bonds4

About 4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride

4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride (PubChem CID 119564862) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride
PubChem CID119564862
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride
SMILESCC(=O)c1ccc(C(=O)NC2(CN)CCCC2)cc1.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-11(18)12-4-6-13(7-5-12)14(19)17-15(10-16)8-2-3-9-15;/h4-7H,2-3,8-10,16H2,1H3,(H,17,19);1H
InChIKeyMQQSNIWMIAKBER-UHFFFAOYSA-N
XLogP2.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161
N-[1-(aminomethyl)cyclopentyl]-4-methoxybenzamide;hydrochloride
CID 119566284
N-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide
CID 63754595
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide
CID 119567918
N-[1-(aminomethyl)cyclopentyl]-4-(methylsulfonylmethyl)benzamide
CID 119565747
N-[1-(aminomethyl)cyclopentyl]-3,4-difluorobenzamide;hydrochloride
CID 119567629
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 119566431
N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide
CID 107672060
N-[1-(aminomethyl)cyclopentyl]-4-benzamidobenzamide
CID 119567292
N-[1-(aminomethyl)cyclopentyl]-6-methylpyridine-3-carboxamide
CID 63753423
N-[1-(aminomethyl)cyclohexyl]-6-methylpyridine-3-carboxamide
CID 63755844

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride?
The IUPAC name of 4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride (CID 119564862) is 4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride.
What is the SMILES notation for 4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride?
The canonical SMILES for 4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride is CC(=O)c1ccc(C(=O)NC2(CN)CCCC2)cc1.Cl.
What is the InChIKey of 4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride?
The InChIKey is MQQSNIWMIAKBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.ClH/c1-11(18)12-4-6-13(7-5-12)14(19)17-15(10-16)8-2-3-9-15;/h4-7H,2-3,8-10,16H2,1H3,(H,17,19);1H.
What are the key properties of 4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride?
4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride is sourced from PubChem (CID 119564862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).