4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride

C15H22ClN3O2 — CID 119318653

IUPAC4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride
SMILESCc1cc(NC(=O)C2(N)CCCCC2)ccc1C(N)=O.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-10-9-11(5-6-12(10)13(16)19)18-14(20)15(17)7-3-2-4-8-15;/h5-6,9H,2-4,7-8,17H2,1H3,(H2,16,19)(H,18,20);1H
InChIKeyZPBSONYVKKLGDY-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.12
Rot. Bonds3

About 4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride

4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride (PubChem CID 119318653) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride
PubChem CID119318653
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride
SMILESCc1cc(NC(=O)C2(N)CCCCC2)ccc1C(N)=O.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-10-9-11(5-6-12(10)13(16)19)18-14(20)15(17)7-3-2-4-8-15;/h5-6,9H,2-4,7-8,17H2,1H3,(H2,16,19)(H,18,20);1H
InChIKeyZPBSONYVKKLGDY-UHFFFAOYSA-N
XLogP2.12
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide
CID 119332635
1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide
CID 54925430
5-[(1-aminocyclohexanecarbonyl)amino]-2-methyl-N-propan-2-ylbenzamide
CID 119321734
N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide
CID 60868462
1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide
CID 60853897
methyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride
CID 119329511
5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride
CID 119337791
1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567
4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid
CID 107208023
1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119673461
2-[1-[2-(4-carbamoyl-3-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 119115370

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride?
The IUPAC name of 4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride (CID 119318653) is 4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride?
The canonical SMILES for 4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride is Cc1cc(NC(=O)C2(N)CCCCC2)ccc1C(N)=O.Cl.
What is the InChIKey of 4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride?
The InChIKey is ZPBSONYVKKLGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-10-9-11(5-6-12(10)13(16)19)18-14(20)15(17)7-3-2-4-8-15;/h5-6,9H,2-4,7-8,17H2,1H3,(H2,16,19)(H,18,20);1H.
What are the key properties of 4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride?
4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 119318653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).