N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide

C11H13FN2O — CID 81477193

IUPACN-(azetidin-3-yl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CNC2)c1F
InChIInChI=1S/C11H13FN2O/c1-7-3-2-4-9(10(7)12)11(15)14-8-5-13-6-8/h2-4,8,13H,5-6H2,1H3,(H,14,15)
InChIKeyHRLGEALVVCQCGM-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.84
Rot. Bonds2

About N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide

N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide (PubChem CID 81477193) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-fluoro-3-methylbenzamide
PubChem CID81477193
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC NameN-(azetidin-3-yl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CNC2)c1F
InChIInChI=1S/C11H13FN2O/c1-7-3-2-4-9(10(7)12)11(15)14-8-5-13-6-8/h2-4,8,13H,5-6H2,1H3,(H,14,15)
InChIKeyHRLGEALVVCQCGM-UHFFFAOYSA-N
XLogP0.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide (CID 81477193) is N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)NC2CNC2)c1F.
What is the InChIKey of N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide?
The InChIKey is HRLGEALVVCQCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-7-3-2-4-9(10(7)12)11(15)14-8-5-13-6-8/h2-4,8,13H,5-6H2,1H3,(H,14,15).
What are the key properties of N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide?
N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide has a molecular weight of 208.24 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 81477193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).