2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride

C11H15ClN2O — CID 141105148

IUPAC2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NC2CC2)c(N)c1.Cl
InChIInChI=1S/C11H14N2O.ClH/c1-7-2-5-9(10(12)6-7)11(14)13-8-3-4-8;/h2,5-6,8H,3-4,12H2,1H3,(H,13,14);1H
InChIKeyULXDYBQLGASMAX-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.89
Rot. Bonds2

About 2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride

2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride (PubChem CID 141105148) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride
PubChem CID141105148
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NC2CC2)c(N)c1.Cl
InChIInChI=1S/C11H14N2O.ClH/c1-7-2-5-9(10(12)6-7)11(14)13-8-3-4-8;/h2,5-6,8H,3-4,12H2,1H3,(H,13,14);1H
InChIKeyULXDYBQLGASMAX-UHFFFAOYSA-N
XLogP1.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.89
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

N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119476329
N-cyclobutyl-2-hydroxy-4-methylbenzamide
CID 62416758
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride
CID 119476368
1-(2-amino-4-methylphenyl)-3-cyclopropylurea
CID 62699288
2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide
CID 63110662
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
2-amino-N-cycloheptyl-4-fluorobenzamide
CID 55139018
2-fluoro-5-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 62515661
2-amino-5-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
CID 114122249
2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide
CID 115412622

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride?
The IUPAC name of 2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride (CID 141105148) is 2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride?
The canonical SMILES for 2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride is Cc1ccc(C(=O)NC2CC2)c(N)c1.Cl.
What is the InChIKey of 2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride?
The InChIKey is ULXDYBQLGASMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.ClH/c1-7-2-5-9(10(12)6-7)11(14)13-8-3-4-8;/h2,5-6,8H,3-4,12H2,1H3,(H,13,14);1H.
What are the key properties of 2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride?
2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride has a molecular weight of 226.71 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 141105148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).