4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride

C13H17Cl2N3O2 — CID 119711657

IUPAC4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(NC(=O)C2CCC(N)C2)cc1Cl
InChIInChI=1S/C13H16ClN3O2.ClH/c14-11-6-9(3-4-10(11)12(16)18)17-13(19)7-1-2-8(15)5-7;/h3-4,6-8H,1-2,5,15H2,(H2,16,18)(H,17,19);1H
InChIKeySWMQSNPBDMKHAS-UHFFFAOYSA-N
MW318.20 g/mol
LogP1.93
Rot. Bonds3

About 4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride

4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride (PubChem CID 119711657) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is 4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride
PubChem CID119711657
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC Name4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(NC(=O)C2CCC(N)C2)cc1Cl
InChIInChI=1S/C13H16ClN3O2.ClH/c14-11-6-9(3-4-10(11)12(16)18)17-13(19)7-1-2-8(15)5-7;/h3-4,6-8H,1-2,5,15H2,(H2,16,18)(H,17,19);1H
InChIKeySWMQSNPBDMKHAS-UHFFFAOYSA-N
XLogP1.93
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide
CID 79510866
5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride
CID 119771531
N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride
CID 119700272
4-[(3-aminocyclopentanecarbonyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119737826
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119713023
cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide
CID 133116598
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 66008946
(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide
CID 81124281
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119713029

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride?
The IUPAC name of 4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride (CID 119711657) is 4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride.
What is the SMILES notation for 4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride?
The canonical SMILES for 4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride is Cl.NC(=O)c1ccc(NC(=O)C2CCC(N)C2)cc1Cl.
What is the InChIKey of 4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride?
The InChIKey is SWMQSNPBDMKHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2.ClH/c14-11-6-9(3-4-10(11)12(16)18)17-13(19)7-1-2-8(15)5-7;/h3-4,6-8H,1-2,5,15H2,(H2,16,18)(H,17,19);1H.
What are the key properties of 4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride?
4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride has a molecular weight of 318.20 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride is sourced from PubChem (CID 119711657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).