N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(trifluoromethoxy)benzamide

C13H13F3N2O2 — CID 116629058

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NC1C2CNCC21)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)20-8-3-1-7(2-4-8)12(19)18-11-9-5-17-6-10(9)11/h1-4,9-11,17H,5-6H2,(H,18,19)
InChIKeySFCUQZZNRGGUAG-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.53
Rot. Bonds3

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(trifluoromethoxy)benzamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 116629058) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(trifluoromethoxy)benzamide
PubChem CID116629058
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NC1C2CNCC21)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)20-8-3-1-7(2-4-8)12(19)18-11-9-5-17-6-10(9)11/h1-4,9-11,17H,5-6H2,(H,18,19)
InChIKeySFCUQZZNRGGUAG-UHFFFAOYSA-N
XLogP1.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 126431501
N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide
CID 116629081
N-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide
CID 71789114
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-4-(trifluoromethoxy)benzamide
CID 71693967
N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide
CID 47086081
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 116629090
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-fluoro-4-methylbenzamide
CID 43594335
N-(4-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzamide;hydrochloride
CID 120567149
N-prop-2-enyl-4-(trifluoromethoxy)benzamide
CID 22616308
piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 23081458

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(trifluoromethoxy)benzamide (CID 116629058) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(trifluoromethoxy)benzamide is O=C(NC1C2CNCC21)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is SFCUQZZNRGGUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c14-13(15,16)20-8-3-1-7(2-4-8)12(19)18-11-9-5-17-6-10(9)11/h1-4,9-11,17H,5-6H2,(H,18,19).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(trifluoromethoxy)benzamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 286.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 116629058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).