1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride

C13H16ClF3N2O2 — CID 119822061

IUPAC1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCN(Cc1cccc(OC(F)(F)F)c1)C(=O)C1(N)CC1.Cl
InChIInChI=1S/C13H15F3N2O2.ClH/c1-18(11(19)12(17)5-6-12)8-9-3-2-4-10(7-9)20-13(14,15)16;/h2-4,7H,5-6,8,17H2,1H3;1H
InChIKeyPBYVWGYLHYZPLV-UHFFFAOYSA-N
MW324.73 g/mol
LogP2.46
Rot. Bonds4

About 1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119822061) has the molecular formula C13H16ClF3N2O2 and a molecular weight of 324.73 g/mol. Its IUPAC name is 1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119822061
Molecular FormulaC13H16ClF3N2O2
Molecular Weight324.73 g/mol
Exact Mass324.09
IUPAC Name1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCN(Cc1cccc(OC(F)(F)F)c1)C(=O)C1(N)CC1.Cl
InChIInChI=1S/C13H15F3N2O2.ClH/c1-18(11(19)12(17)5-6-12)8-9-3-2-4-10(7-9)20-13(14,15)16;/h2-4,7H,5-6,8,17H2,1H3;1H
InChIKeyPBYVWGYLHYZPLV-UHFFFAOYSA-N
XLogP2.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]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

1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65466557
(2R)-2-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119345497
3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
CID 119345484
2-amino-N,2-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide;hydrochloride
CID 119822111
2-amino-N-methyl-2-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 120594434
2-amino-N,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 119822100
(2S,5R)-5-(aminomethyl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120796619
1-amino-N-[(3-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119285924
N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119345493
9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992602
1-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopropane-1-carboxamide
CID 65464041
2-(2-methoxyethylamino)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119822107

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride (CID 119822061) is 1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride is CN(Cc1cccc(OC(F)(F)F)c1)C(=O)C1(N)CC1.Cl.
What is the InChIKey of 1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is PBYVWGYLHYZPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2.ClH/c1-18(11(19)12(17)5-6-12)8-9-3-2-4-10(7-9)20-13(14,15)16;/h2-4,7H,5-6,8,17H2,1H3;1H.
What are the key properties of 1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 324.73 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119822061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).