1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride

C15H20ClF3N2O2 — CID 119275621

IUPAC1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCc2ccccc2OC(F)(F)F)CCCCC1
InChIInChI=1S/C15H19F3N2O2.ClH/c16-15(17,18)22-12-7-3-2-6-11(12)10-20-13(21)14(19)8-4-1-5-9-14;/h2-3,6-7H,1,4-5,8-10,19H2,(H,20,21);1H
InChIKeyCTKPXABAHIWDCN-UHFFFAOYSA-N
MW352.78 g/mol
LogP3.28
Rot. Bonds4

About 1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119275621) has the molecular formula C15H20ClF3N2O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is 1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119275621
Molecular FormulaC15H20ClF3N2O2
Molecular Weight352.78 g/mol
Exact Mass352.12
IUPAC Name1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCc2ccccc2OC(F)(F)F)CCCCC1
InChIInChI=1S/C15H19F3N2O2.ClH/c16-15(17,18)22-12-7-3-2-6-11(12)10-20-13(21)14(19)8-4-1-5-9-14;/h2-3,6-7H,1,4-5,8-10,19H2,(H,20,21);1H
InChIKeyCTKPXABAHIWDCN-UHFFFAOYSA-N
XLogP3.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-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-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 146134402
1-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119276278
3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63141242
1-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119864986
1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 81169624
2-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 55035674
1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 61402383
1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 119281357
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
1-(1-bicyclo[4.1.0]heptanylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 166351575
1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 119281351
1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 63932476

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride (CID 119275621) is 1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCc2ccccc2OC(F)(F)F)CCCCC1.
What is the InChIKey of 1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is CTKPXABAHIWDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2.ClH/c16-15(17,18)22-12-7-3-2-6-11(12)10-20-13(21)14(19)8-4-1-5-9-14;/h2-3,6-7H,1,4-5,8-10,19H2,(H,20,21);1H.
What are the key properties of 1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 352.78 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119275621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).