N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

C19H22F4N2O2 — CID 66775864

IUPACN-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NCc1ccc(F)c(C(F)(F)F)c1)C1C2CN(C3CCOCC3)CC21
InChIInChI=1S/C19H22F4N2O2/c20-16-2-1-11(7-15(16)19(21,22)23)8-24-18(26)17-13-9-25(10-14(13)17)12-3-5-27-6-4-12/h1-2,7,12-14,17H,3-6,8-10H2,(H,24,26)
InChIKeyLAYNGHMFFZXGOV-UHFFFAOYSA-N
MW386.39 g/mol
LogP2.82
Rot. Bonds4

About N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 66775864) has the molecular formula C19H22F4N2O2 and a molecular weight of 386.39 g/mol. Its IUPAC name is N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID66775864
Molecular FormulaC19H22F4N2O2
Molecular Weight386.39 g/mol
Exact Mass386.16
IUPAC NameN-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NCc1ccc(F)c(C(F)(F)F)c1)C1C2CN(C3CCOCC3)CC21
InChIInChI=1S/C19H22F4N2O2/c20-16-2-1-11(7-15(16)19(21,22)23)8-24-18(26)17-13-9-25(10-14(13)17)12-3-5-27-6-4-12/h1-2,7,12-14,17H,3-6,8-10H2,(H,24,26)
InChIKeyLAYNGHMFFZXGOV-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 66775864) is N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is O=C(NCc1ccc(F)c(C(F)(F)F)c1)C1C2CN(C3CCOCC3)CC21.
What is the InChIKey of N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is LAYNGHMFFZXGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F4N2O2/c20-16-2-1-11(7-15(16)19(21,22)23)8-24-18(26)17-13-9-25(10-14(13)17)12-3-5-27-6-4-12/h1-2,7,12-14,17H,3-6,8-10H2,(H,24,26).
What are the key properties of N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 386.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 66775864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).