4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride

C15H23ClN2O — CID 119812226

IUPAC4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride
SMILESCCC1(CNC(=O)c2ccc(N)cc2)CCCC1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-2-15(9-3-4-10-15)11-17-14(18)12-5-7-13(16)8-6-12;/h5-8H,2-4,9-11,16H2,1H3,(H,17,18);1H
InChIKeyVNFFJMOYVRZSII-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.39
Rot. Bonds4

About 4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride

4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride (PubChem CID 119812226) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride
PubChem CID119812226
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride
SMILESCCC1(CNC(=O)c2ccc(N)cc2)CCCC1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-2-15(9-3-4-10-15)11-17-14(18)12-5-7-13(16)8-6-12;/h5-8H,2-4,9-11,16H2,1H3,(H,17,18);1H
InChIKeyVNFFJMOYVRZSII-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-[(1-ethylcyclopentyl)methyl]acetamide;hydrochloride
CID 119812218
4-amino-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103813045
2-(4-aminophenyl)-N-[(1-ethylcyclobutyl)methyl]acetamide;hydrochloride
CID 119782137
4-amino-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide;hydrochloride
CID 119801690
N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide
CID 103893307
1-(4-aminophenyl)-3-[(1-ethylcyclopropyl)methyl]urea
CID 114100683
2-amino-N-[(1-ethylcyclobutyl)methyl]benzamide
CID 103822063
4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide
CID 114108124
N-[(1-ethylcyclobutyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 105056005
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616
4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride
CID 119345529
4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride
CID 119339941

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride?
The IUPAC name of 4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride (CID 119812226) is 4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride?
The canonical SMILES for 4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride is CCC1(CNC(=O)c2ccc(N)cc2)CCCC1.Cl.
What is the InChIKey of 4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride?
The InChIKey is VNFFJMOYVRZSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-2-15(9-3-4-10-15)11-17-14(18)12-5-7-13(16)8-6-12;/h5-8H,2-4,9-11,16H2,1H3,(H,17,18);1H.
What are the key properties of 4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride?
4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119812226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).