N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride

C14H15ClF4N2O — CID 66775853

IUPACN-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1C2CNCC21)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H14F4N2O.ClH/c15-12-2-1-7(3-11(12)14(16,17)18)13(21)20-6-10-8-4-19-5-9(8)10;/h1-3,8-10,19H,4-6H2,(H,20,21);1H
InChIKeyHWFRRIZEVQBSLX-UHFFFAOYSA-N
MW338.73 g/mol
LogP2.46
Rot. Bonds3

About N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride

N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 66775853) has the molecular formula C14H15ClF4N2O and a molecular weight of 338.73 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride
PubChem CID66775853
Molecular FormulaC14H15ClF4N2O
Molecular Weight338.73 g/mol
Exact Mass338.08
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1C2CNCC21)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H14F4N2O.ClH/c15-12-2-1-7(3-11(12)14(16,17)18)13(21)20-6-10-8-4-19-5-9(8)10;/h1-3,8-10,19H,4-6H2,(H,20,21);1H
InChIKeyHWFRRIZEVQBSLX-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.73
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride (CID 66775853) is N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride is Cl.O=C(NCC1C2CNCC21)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is HWFRRIZEVQBSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2O.ClH/c15-12-2-1-7(3-11(12)14(16,17)18)13(21)20-6-10-8-4-19-5-9(8)10;/h1-3,8-10,19H,4-6H2,(H,20,21);1H.
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride?
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 338.73 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 66775853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).