N-[[3-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide

C21H20F4N2O2 — CID 90353531

IUPACN-[[3-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(NCC1C2CN(Cc3ccccc3F)CC12)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C21H20F4N2O2/c22-19-7-2-1-4-14(19)10-27-11-17-16(18(17)12-27)9-26-20(28)13-5-3-6-15(8-13)29-21(23,24)25/h1-8,16-18H,9-12H2,(H,26,28)
InChIKeyOPVVBLRZEHDCEL-UHFFFAOYSA-N
MW408.40 g/mol
LogP3.83
Rot. Bonds6

About N-[[3-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide

N-[[3-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide (PubChem CID 90353531) has the molecular formula C21H20F4N2O2 and a molecular weight of 408.40 g/mol. Its IUPAC name is N-[[3-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[3-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide
PubChem CID90353531
Molecular FormulaC21H20F4N2O2
Molecular Weight408.40 g/mol
Exact Mass408.15
IUPAC NameN-[[3-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(NCC1C2CN(Cc3ccccc3F)CC12)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C21H20F4N2O2/c22-19-7-2-1-4-14(19)10-27-11-17-16(18(17)12-27)9-26-20(28)13-5-3-6-15(8-13)29-21(23,24)25/h1-8,16-18H,9-12H2,(H,26,28)
InChIKeyOPVVBLRZEHDCEL-UHFFFAOYSA-N
XLogP3.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(2,4-dimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide
CID 69472811
N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide
CID 68777168
N-[[3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide
CID 90353502
N-[[3-[2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide
CID 90353390
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide
CID 508745
N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-3-(trifluoromethoxy)benzamide
CID 69244116
3-fluoro-N-[[3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide
CID 69034832
3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 42850898
N-[[3-(1-methylazetidin-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethyl)benzamide
CID 68780307
N-[3-(1H-imidazol-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-3-(trifluoromethoxy)benzamide
CID 90353555
1-[3-(furan-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 69470887

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[3-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide (CID 90353531) is N-[[3-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[3-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[3-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide is O=C(NCC1C2CN(Cc3ccccc3F)CC12)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[[3-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is OPVVBLRZEHDCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N2O2/c22-19-7-2-1-4-14(19)10-27-11-17-16(18(17)12-27)9-26-20(28)13-5-3-6-15(8-13)29-21(23,24)25/h1-8,16-18H,9-12H2,(H,26,28).
What are the key properties of N-[[3-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide?
N-[[3-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 408.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 90353531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).