N-(4-aminocyclohexyl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride

C18H24ClF3N2O2 — CID 86813882

IUPACN-(4-aminocyclohexyl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCN(C(=O)C1CC1c1ccc(OC(F)(F)F)cc1)C1CCC(N)CC1.Cl
InChIInChI=1S/C18H23F3N2O2.ClH/c1-23(13-6-4-12(22)5-7-13)17(24)16-10-15(16)11-2-8-14(9-3-11)25-18(19,20)21;/h2-3,8-9,12-13,15-16H,4-7,10,22H2,1H3;1H
InChIKeyULECFMNAUMNPBC-UHFFFAOYSA-N
MW392.85 g/mol
LogP3.84
Rot. Bonds4

About N-(4-aminocyclohexyl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 86813882) has the molecular formula C18H24ClF3N2O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID86813882
Molecular FormulaC18H24ClF3N2O2
Molecular Weight392.85 g/mol
Exact Mass392.15
IUPAC NameN-(4-aminocyclohexyl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCN(C(=O)C1CC1c1ccc(OC(F)(F)F)cc1)C1CCC(N)CC1.Cl
InChIInChI=1S/C18H23F3N2O2.ClH/c1-23(13-6-4-12(22)5-7-13)17(24)16-10-15(16)11-2-8-14(9-3-11)25-18(19,20)21;/h2-3,8-9,12-13,15-16H,4-7,10,22H2,1H3;1H
InChIKeyULECFMNAUMNPBC-UHFFFAOYSA-N
XLogP3.84
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride (CID 86813882) is N-(4-aminocyclohexyl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride is CN(C(=O)C1CC1c1ccc(OC(F)(F)F)cc1)C1CCC(N)CC1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is ULECFMNAUMNPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2.ClH/c1-23(13-6-4-12(22)5-7-13)17(24)16-10-15(16)11-2-8-14(9-3-11)25-18(19,20)21;/h2-3,8-9,12-13,15-16H,4-7,10,22H2,1H3;1H.
What are the key properties of N-(4-aminocyclohexyl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 392.85 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 86813882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).