N-(2-amino-1-cyclopropylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride

C16H20ClF3N2O — CID 119617772

IUPACN-(2-amino-1-cyclopropylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)C1CC1
InChIInChI=1S/C16H19F3N2O.ClH/c17-16(18,19)12-3-1-2-11(8-12)15(6-7-15)14(22)21-13(9-20)10-4-5-10;/h1-3,8,10,13H,4-7,9,20H2,(H,21,22);1H
InChIKeyHTKZBOWFWOZURB-UHFFFAOYSA-N
MW348.80 g/mol
LogP3.01
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119617772) has the molecular formula C16H20ClF3N2O and a molecular weight of 348.80 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119617772
Molecular FormulaC16H20ClF3N2O
Molecular Weight348.80 g/mol
Exact Mass348.12
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)C1CC1
InChIInChI=1S/C16H19F3N2O.ClH/c17-16(18,19)12-3-1-2-11(8-12)15(6-7-15)14(22)21-13(9-20)10-4-5-10;/h1-3,8,10,13H,4-7,9,20H2,(H,21,22);1H
InChIKeyHTKZBOWFWOZURB-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.80
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-amino-1-cyclopropylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;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)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119614549
N-(2-amino-1-cyclopropylethyl)-1-phenylcyclopentane-1-carboxamide
CID 119616687
N-(2-amino-1-cyclohexylethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119589993
N-(2-amino-2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119529643
(2S)-2-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]hexanoic acid
CID 120614850
N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119589829
N-(2-amino-1-cyclohexylethyl)-4-phenyloxane-4-carboxamide;hydrochloride
CID 119591634
(2S)-2-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]butanoic acid
CID 166239737
N-[2-(4-aminophenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119549712
N-(2-amino-1-cyclopropylethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119614384
N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 65188641
N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 71886913

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride (CID 119617772) is N-(2-amino-1-cyclopropylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride is Cl.NCC(NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is HTKZBOWFWOZURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O.ClH/c17-16(18,19)12-3-1-2-11(8-12)15(6-7-15)14(22)21-13(9-20)10-4-5-10;/h1-3,8,10,13H,4-7,9,20H2,(H,21,22);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 348.80 g/mol, XLogP of 3.01, 5 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)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119617772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).