N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-fluoro-4-methylbenzamide

C13H15FN2O — CID 43594335

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2C3CNCC32)cc1F
InChIInChI=1S/C13H15FN2O/c1-7-2-3-8(4-11(7)14)13(17)16-12-9-5-15-6-10(9)12/h2-4,9-10,12,15H,5-6H2,1H3,(H,16,17)
InChIKeyGOOBJRCFDLDXDN-UHFFFAOYSA-N
MW234.27 g/mol
LogP1.08
Rot. Bonds2

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-fluoro-4-methylbenzamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-fluoro-4-methylbenzamide (PubChem CID 43594335) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-3-fluoro-4-methylbenzamide
PubChem CID43594335
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2C3CNCC32)cc1F
InChIInChI=1S/C13H15FN2O/c1-7-2-3-8(4-11(7)14)13(17)16-12-9-5-15-6-10(9)12/h2-4,9-10,12,15H,5-6H2,1H3,(H,16,17)
InChIKeyGOOBJRCFDLDXDN-UHFFFAOYSA-N
XLogP1.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide
CID 104826148
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-bromo-4-fluorobenzamide
CID 107956016
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide
CID 66196506
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 119704149
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 107129770
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 43603078
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-methylbenzamide
CID 65312004
3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955798
N-[2-(cyclopropylcarbamoylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 36508254
N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide
CID 113275063

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-fluoro-4-methylbenzamide (CID 43594335) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NC2C3CNCC32)cc1F.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-fluoro-4-methylbenzamide?
The InChIKey is GOOBJRCFDLDXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-7-2-3-8(4-11(7)14)13(17)16-12-9-5-15-6-10(9)12/h2-4,9-10,12,15H,5-6H2,1H3,(H,16,17).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-fluoro-4-methylbenzamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-fluoro-4-methylbenzamide has a molecular weight of 234.27 g/mol, XLogP of 1.08, 2 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-yl)-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 43594335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).