(1S,5R)-N-[2-methyl-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C17H21F3N2O2 — CID 86293129

IUPAC(1S,5R)-N-[2-methyl-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(COc1ccccc1C(F)(F)F)NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C17H21F3N2O2/c1-16(2,22-15(23)14-10-7-21-8-11(10)14)9-24-13-6-4-3-5-12(13)17(18,19)20/h3-6,10-11,14,21H,7-9H2,1-2H3,(H,22,23)/t10-,11+,14?
InChIKeyOANOXKUAEXJNQJ-BVUQATHDSA-N
MW342.36 g/mol
LogP2.44
Rot. Bonds5

About (1S,5R)-N-[2-methyl-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N-[2-methyl-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 86293129) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is (1S,5R)-N-[2-methyl-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[2-methyl-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID86293129
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name(1S,5R)-N-[2-methyl-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(COc1ccccc1C(F)(F)F)NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C17H21F3N2O2/c1-16(2,22-15(23)14-10-7-21-8-11(10)14)9-24-13-6-4-3-5-12(13)17(18,19)20/h3-6,10-11,14,21H,7-9H2,1-2H3,(H,22,23)/t10-,11+,14?
InChIKeyOANOXKUAEXJNQJ-BVUQATHDSA-N
XLogP2.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[2-methyl-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-[2-methyl-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 86293129) is (1S,5R)-N-[2-methyl-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-[2-methyl-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-[2-methyl-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(COc1ccccc1C(F)(F)F)NC(=O)C1[C@H]2CNC[C@@H]12.
What is the InChIKey of (1S,5R)-N-[2-methyl-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is OANOXKUAEXJNQJ-BVUQATHDSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-16(2,22-15(23)14-10-7-21-8-11(10)14)9-24-13-6-4-3-5-12(13)17(18,19)20/h3-6,10-11,14,21H,7-9H2,1-2H3,(H,22,23)/t10-,11+,14?.
What are the key properties of (1S,5R)-N-[2-methyl-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-[2-methyl-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[2-methyl-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 86293129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).