(1R,3S,5R)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride

C14H22ClF3N2O2 — CID 140674874

IUPAC(1R,3S,5R)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
SMILESCOC1(C(F)(F)F)CCCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2)C1.Cl
InChIInChI=1S/C14H21F3N2O2.ClH/c1-21-13(14(15,16)17)4-2-3-9(7-13)18-12(20)11-6-8-5-10(8)19-11;/h8-11,19H,2-7H2,1H3,(H,18,20);1H/t8-,9?,10-,11+,13?;/m1./s1
InChIKeyCUELLTHKLZQDFR-LQUUZOAJSA-N
MW342.79 g/mol
LogP2.16
Rot. Bonds3

About (1R,3S,5R)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride

(1R,3S,5R)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride (PubChem CID 140674874) has the molecular formula C14H22ClF3N2O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is (1R,3S,5R)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1R,3S,5R)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
PubChem CID140674874
Molecular FormulaC14H22ClF3N2O2
Molecular Weight342.79 g/mol
Exact Mass342.13
IUPAC Name(1R,3S,5R)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
SMILESCOC1(C(F)(F)F)CCCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2)C1.Cl
InChIInChI=1S/C14H21F3N2O2.ClH/c1-21-13(14(15,16)17)4-2-3-9(7-13)18-12(20)11-6-8-5-10(8)19-11;/h8-11,19H,2-7H2,1H3,(H,18,20);1H/t8-,9?,10-,11+,13?;/m1./s1
InChIKeyCUELLTHKLZQDFR-LQUUZOAJSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride?
The IUPAC name of (1R,3S,5R)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride (CID 140674874) is (1R,3S,5R)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride.
What is the SMILES notation for (1R,3S,5R)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride?
The canonical SMILES for (1R,3S,5R)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride is COC1(C(F)(F)F)CCCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2)C1.Cl.
What is the InChIKey of (1R,3S,5R)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride?
The InChIKey is CUELLTHKLZQDFR-LQUUZOAJSA-N. The full InChI is InChI=1S/C14H21F3N2O2.ClH/c1-21-13(14(15,16)17)4-2-3-9(7-13)18-12(20)11-6-8-5-10(8)19-11;/h8-11,19H,2-7H2,1H3,(H,18,20);1H/t8-,9?,10-,11+,13?;/m1./s1.
What are the key properties of (1R,3S,5R)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride?
(1R,3S,5R)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride has a molecular weight of 342.79 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-N-[3-methoxy-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride is sourced from PubChem (CID 140674874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).