N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride

C13H17ClF2N2O — CID 119613251

IUPACN-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride
SMILESCc1cc(C(=O)NC(CN)C2CC2)c(F)cc1F.Cl
InChIInChI=1S/C13H16F2N2O.ClH/c1-7-4-9(11(15)5-10(7)14)13(18)17-12(6-16)8-2-3-8;/h4-5,8,12H,2-3,6,16H2,1H3,(H,17,18);1H
InChIKeyNREYCFMVHNIOFU-UHFFFAOYSA-N
MW290.74 g/mol
LogP2.16
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride (PubChem CID 119613251) has the molecular formula C13H17ClF2N2O and a molecular weight of 290.74 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride
PubChem CID119613251
Molecular FormulaC13H17ClF2N2O
Molecular Weight290.74 g/mol
Exact Mass290.10
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride
SMILESCc1cc(C(=O)NC(CN)C2CC2)c(F)cc1F.Cl
InChIInChI=1S/C13H16F2N2O.ClH/c1-7-4-9(11(15)5-10(7)14)13(18)17-12(6-16)8-2-3-8;/h4-5,8,12H,2-3,6,16H2,1H3,(H,17,18);1H
InChIKeyNREYCFMVHNIOFU-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-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)-2-fluoro-5-methylbenzamide
CID 65188786
N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride
CID 119614951
N-(2-amino-1-cyclopropylethyl)-2-fluoro-4-hydroxybenzamide
CID 107677141
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide
CID 82883177
N-(2-amino-1-cyclopropylethyl)-4-methylthiophene-3-carboxamide;hydrochloride
CID 119613848
N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide
CID 65188796
N-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide
CID 119614910
N-(2-amino-1-cyclopentylethyl)-4-fluoro-2-methylbenzamide
CID 106737696
N-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119617713
N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride
CID 84591204
N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride
CID 119614072
N-(2-amino-1-cyclopropylethyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
CID 119614679

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride (CID 119613251) is N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride is Cc1cc(C(=O)NC(CN)C2CC2)c(F)cc1F.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride?
The InChIKey is NREYCFMVHNIOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O.ClH/c1-7-4-9(11(15)5-10(7)14)13(18)17-12(6-16)8-2-3-8;/h4-5,8,12H,2-3,6,16H2,1H3,(H,17,18);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride has a molecular weight of 290.74 g/mol, XLogP of 2.16, 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)-2,4-difluoro-5-methylbenzamide;hydrochloride is sourced from PubChem (CID 119613251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).