5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride

C14H20ClN3O2 — CID 119771531

IUPAC5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CCC(N)C2)cc1C(N)=O.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-8-2-5-11(7-12(8)13(16)18)17-14(19)9-3-4-10(15)6-9;/h2,5,7,9-10H,3-4,6,15H2,1H3,(H2,16,18)(H,17,19);1H
InChIKeySVFNGIQJKWBQNO-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.58
Rot. Bonds3

About 5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride

5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride (PubChem CID 119771531) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride
PubChem CID119771531
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CCC(N)C2)cc1C(N)=O.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-8-2-5-11(7-12(8)13(16)18)17-14(19)9-3-4-10(15)6-9;/h2,5,7,9-10H,3-4,6,15H2,1H3,(H2,16,18)(H,17,19);1H
InChIKeySVFNGIQJKWBQNO-UHFFFAOYSA-N
XLogP1.58
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride
CID 119711657
3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide
CID 115377268
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]cyclopentane-1-carboxamide
CID 119798958
3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119730951
3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119779701
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
N-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119316570
N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride
CID 119700272
3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119730952
4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 55201939

Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride (CID 119771531) is 5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride is Cc1ccc(NC(=O)C2CCC(N)C2)cc1C(N)=O.Cl.
What is the InChIKey of 5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride?
The InChIKey is SVFNGIQJKWBQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-8-2-5-11(7-12(8)13(16)18)17-14(19)9-3-4-10(15)6-9;/h2,5,7,9-10H,3-4,6,15H2,1H3,(H2,16,18)(H,17,19);1H.
What are the key properties of 5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride?
5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 119771531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).