N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride

C13H18ClFN2O — CID 119614951

IUPACN-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NC(CN)C2CC2)cc1F.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-8-2-3-10(6-11(8)14)13(17)16-12(7-15)9-4-5-9;/h2-3,6,9,12H,4-5,7,15H2,1H3,(H,16,17);1H
InChIKeyWYTZERJZLSGWPL-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.02
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride (PubChem CID 119614951) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride
PubChem CID119614951
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NC(CN)C2CC2)cc1F.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-8-2-3-10(6-11(8)14)13(17)16-12(7-15)9-4-5-9;/h2-3,6,9,12H,4-5,7,15H2,1H3,(H,16,17);1H
InChIKeyWYTZERJZLSGWPL-UHFFFAOYSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-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

N-(2-amino-1-cyclopropylethyl)-4-bromo-3-fluorobenzamide
CID 65188732
3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide
CID 119614425
N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride
CID 119613251
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide
CID 82883177
N-(2-amino-1-cyclopropylethyl)naphthalene-2-carboxamide
CID 65189109
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide
CID 81485984
N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide
CID 65188786
N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 65188641
N-(2-amino-1-cyclopropylethyl)-4-methylsulfanyl-3-nitrobenzamide;hydrochloride
CID 119616130
N-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride
CID 119617428
N-(2-amino-1-cyclopentylethyl)-4-fluoro-2-methylbenzamide
CID 106737696

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride (CID 119614951) is N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride is Cc1ccc(C(=O)NC(CN)C2CC2)cc1F.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride?
The InChIKey is WYTZERJZLSGWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O.ClH/c1-8-2-3-10(6-11(8)14)13(17)16-12(7-15)9-4-5-9;/h2-3,6,9,12H,4-5,7,15H2,1H3,(H,16,17);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride has a molecular weight of 272.75 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 119614951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).