N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-(trifluoromethoxy)benzamide

C14H15F3N2O2 — CID 69470093

IUPACN-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-(trifluoromethoxy)benzamide
SMILESO=C(NCC1C2CNCC21)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)21-12-4-2-1-3-8(12)13(20)19-7-11-9-5-18-6-10(9)11/h1-4,9-11,18H,5-7H2,(H,19,20)
InChIKeyWBUTZIOXMBKSOG-UHFFFAOYSA-N
MW300.28 g/mol
LogP1.78
Rot. Bonds4

About N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-(trifluoromethoxy)benzamide

N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-(trifluoromethoxy)benzamide (PubChem CID 69470093) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-(trifluoromethoxy)benzamide
PubChem CID69470093
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-(trifluoromethoxy)benzamide
SMILESO=C(NCC1C2CNCC21)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)21-12-4-2-1-3-8(12)13(20)19-7-11-9-5-18-6-10(9)11/h1-4,9-11,18H,5-7H2,(H,19,20)
InChIKeyWBUTZIOXMBKSOG-UHFFFAOYSA-N
XLogP1.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(trifluoromethoxy)benzamide
CID 174848356
2,6-difluoro-N'-[2-(trifluoromethoxy)benzoyl]benzohydrazide
CID 2744785
1-[[[2-(trifluoromethoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120543771
N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2-(trifluoromethoxy)benzamide
CID 118929837
[4-[[[2-(trifluoromethoxy)benzoyl]amino]methyl]phenyl]boronic acid
CID 140784412
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide
CID 120945515
4-[[[2-(trifluoromethoxy)benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120541744
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzamide
CID 75515842
[[2-(trifluoromethoxy)benzoyl]amino] 2,2,2-trifluoroacetate
CID 141176315
2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944904
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 120943463
N-(cyclopropylmethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 171393398

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-(trifluoromethoxy)benzamide (CID 69470093) is N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-(trifluoromethoxy)benzamide is O=C(NCC1C2CNCC21)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-(trifluoromethoxy)benzamide?
The InChIKey is WBUTZIOXMBKSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)21-12-4-2-1-3-8(12)13(20)19-7-11-9-5-18-6-10(9)11/h1-4,9-11,18H,5-7H2,(H,19,20).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-(trifluoromethoxy)benzamide?
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-(trifluoromethoxy)benzamide has a molecular weight of 300.28 g/mol, XLogP of 1.78, 4 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-ylmethyl)-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 69470093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).