3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride

C15H22ClN3O2 — CID 119770305

IUPAC3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(CCNC(=O)C2CCC(N)C2)c1
InChIInChI=1S/C15H21N3O2.ClH/c16-13-5-4-12(9-13)15(20)18-7-6-10-2-1-3-11(8-10)14(17)19;/h1-3,8,12-13H,4-7,9,16H2,(H2,17,19)(H,18,20);1H
InChIKeyHNSHJQWYVVUIJA-UHFFFAOYSA-N
MW311.81 g/mol
LogP0.99
Rot. Bonds5

About 3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride

3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride (PubChem CID 119770305) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride
PubChem CID119770305
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(CCNC(=O)C2CCC(N)C2)c1
InChIInChI=1S/C15H21N3O2.ClH/c16-13-5-4-12(9-13)15(20)18-7-6-10-2-1-3-11(8-10)14(17)19;/h1-3,8,12-13H,4-7,9,16H2,(H2,17,19)(H,18,20);1H
InChIKeyHNSHJQWYVVUIJA-UHFFFAOYSA-N
XLogP0.99
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride
CID 119719918
9-amino-N-[2-(3-carbamoylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988653
N-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770333
cis-(1S,3R)-3-amino-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 56918619
N-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119315844
3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
CID 119719955
4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 55062327
3-amino-N-[2-(4-ethylphenyl)ethyl]cyclopentane-1-carboxamide
CID 119760925
3-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119788200
3-amino-N-[2-(2,3-dichlorophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119736254
N-[3-[(3-aminocyclopentanecarbonyl)amino]propyl]-3-fluorobenzamide;hydrochloride
CID 119783278
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119774826

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride?
The IUPAC name of 3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride (CID 119770305) is 3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride?
The canonical SMILES for 3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride is Cl.NC(=O)c1cccc(CCNC(=O)C2CCC(N)C2)c1.
What is the InChIKey of 3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride?
The InChIKey is HNSHJQWYVVUIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c16-13-5-4-12(9-13)15(20)18-7-6-10-2-1-3-11(8-10)14(17)19;/h1-3,8,12-13H,4-7,9,16H2,(H2,17,19)(H,18,20);1H.
What are the key properties of 3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride?
3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119770305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).