3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride

C14H20ClN3O2 — CID 119719918

IUPAC3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(CNC(=O)C2CCC(N)C2)c1
InChIInChI=1S/C14H19N3O2.ClH/c15-12-5-4-11(7-12)14(19)17-8-9-2-1-3-10(6-9)13(16)18;/h1-3,6,11-12H,4-5,7-8,15H2,(H2,16,18)(H,17,19);1H
InChIKeyKCFDVGFAILOYDX-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.95
Rot. Bonds4

About 3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride

3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride (PubChem CID 119719918) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride
PubChem CID119719918
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(CNC(=O)C2CCC(N)C2)c1
InChIInChI=1S/C14H19N3O2.ClH/c15-12-5-4-11(7-12)14(19)17-8-9-2-1-3-10(6-9)13(16)18;/h1-3,6,11-12H,4-5,7-8,15H2,(H2,16,18)(H,17,19);1H
InChIKeyKCFDVGFAILOYDX-UHFFFAOYSA-N
XLogP0.95
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride
CID 119770305
3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
CID 119719955
3-amino-N-[(3-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119719919
3-[[(3-aminocyclohexanecarbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119722813
3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119751138
3-amino-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119712572
N-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719111
N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide
CID 61274140
3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 66009834
3-amino-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119675799
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119702505

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride?
The IUPAC name of 3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride (CID 119719918) is 3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride?
The canonical SMILES for 3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride is Cl.NC(=O)c1cccc(CNC(=O)C2CCC(N)C2)c1.
What is the InChIKey of 3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride?
The InChIKey is KCFDVGFAILOYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c15-12-5-4-11(7-12)14(19)17-8-9-2-1-3-10(6-9)13(16)18;/h1-3,6,11-12H,4-5,7-8,15H2,(H2,16,18)(H,17,19);1H.
What are the key properties of 3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride?
3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride is sourced from PubChem (CID 119719918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).