4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride

C15H23ClN2O — CID 119676181

IUPAC4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
SMILESCC1CCCC(NC(=O)c2ccc(N)cc2)C1C.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-10-4-3-5-14(11(10)2)17-15(18)12-6-8-13(16)9-7-12;/h6-11,14H,3-5,16H2,1-2H3,(H,17,18);1H
InChIKeyQINJDJVXIKZBLN-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.25
Rot. Bonds2

About 4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride

4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride (PubChem CID 119676181) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
PubChem CID119676181
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
SMILESCC1CCCC(NC(=O)c2ccc(N)cc2)C1C.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-10-4-3-5-14(11(10)2)17-15(18)12-6-8-13(16)9-7-12;/h6-11,14H,3-5,16H2,1-2H3,(H,17,18);1H
InChIKeyQINJDJVXIKZBLN-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-iodobenzamide
CID 11919878
4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
CID 16785407
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
CID 51665263
N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide
CID 3684866
N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide
CID 103955392
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
2-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119943682
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide
CID 26797148
N-(2,3-dimethylcyclohexyl)-4-(dimethylsulfamoyl)benzamide
CID 17388431
2-amino-N-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide
CID 62156414
N-(2,3-dimethylcyclohexyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide
CID 59811280

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride?
The IUPAC name of 4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride (CID 119676181) is 4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride is CC1CCCC(NC(=O)c2ccc(N)cc2)C1C.Cl.
What is the InChIKey of 4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride?
The InChIKey is QINJDJVXIKZBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-10-4-3-5-14(11(10)2)17-15(18)12-6-8-13(16)9-7-12;/h6-11,14H,3-5,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride?
4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride is sourced from PubChem (CID 119676181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).