2-cyclobutyl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide

C18H21F3N2O — CID 138011742

IUPAC2-cyclobutyl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide
SMILESO=C(NC[C@]12CNC[C@@]1(C(F)(F)F)C2)c1ccccc1C1CCC1
InChIInChI=1S/C18H21F3N2O/c19-18(20,21)17-8-16(17,9-22-11-17)10-23-15(24)14-7-2-1-6-13(14)12-4-3-5-12/h1-2,6-7,12,22H,3-5,8-11H2,(H,23,24)/t16-,17-/m0/s1
InChIKeyDZOPMRKIVKNDBY-IRXDYDNUSA-N
MW338.37 g/mol
LogP3.23
Rot. Bonds4

About 2-cyclobutyl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide

2-cyclobutyl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide (PubChem CID 138011742) has the molecular formula C18H21F3N2O and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-cyclobutyl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide
PubChem CID138011742
Molecular FormulaC18H21F3N2O
Molecular Weight338.37 g/mol
Exact Mass338.16
IUPAC Name2-cyclobutyl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide
SMILESO=C(NC[C@]12CNC[C@@]1(C(F)(F)F)C2)c1ccccc1C1CCC1
InChIInChI=1S/C18H21F3N2O/c19-18(20,21)17-8-16(17,9-22-11-17)10-23-15(24)14-7-2-1-6-13(14)12-4-3-5-12/h1-2,6-7,12,22H,3-5,8-11H2,(H,23,24)/t16-,17-/m0/s1
InChIKeyDZOPMRKIVKNDBY-IRXDYDNUSA-N
XLogP3.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide?
The IUPAC name of 2-cyclobutyl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide (CID 138011742) is 2-cyclobutyl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide.
What is the SMILES notation for 2-cyclobutyl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide?
The canonical SMILES for 2-cyclobutyl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide is O=C(NC[C@]12CNC[C@@]1(C(F)(F)F)C2)c1ccccc1C1CCC1.
What is the InChIKey of 2-cyclobutyl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide?
The InChIKey is DZOPMRKIVKNDBY-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H21F3N2O/c19-18(20,21)17-8-16(17,9-22-11-17)10-23-15(24)14-7-2-1-6-13(14)12-4-3-5-12/h1-2,6-7,12,22H,3-5,8-11H2,(H,23,24)/t16-,17-/m0/s1.
What are the key properties of 2-cyclobutyl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide?
2-cyclobutyl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide has a molecular weight of 338.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide is sourced from PubChem (CID 138011742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).