2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide

C13H17FN2O — CID 64616563

IUPAC2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CC1CNC1
InChIInChI=1S/C13H17FN2O/c1-16(13(17)6-10-7-15-8-10)9-11-4-2-3-5-12(11)14/h2-5,10,15H,6-9H2,1H3
InChIKeyBUPQHTGSYOMLMP-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.39
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide

2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 64616563) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
PubChem CID64616563
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CC1CNC1
InChIInChI=1S/C13H17FN2O/c1-16(13(17)6-10-7-15-8-10)9-11-4-2-3-5-12(11)14/h2-5,10,15H,6-9H2,1H3
InChIKeyBUPQHTGSYOMLMP-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 64610785
2-(azetidin-3-yl)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 64611177
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-cyclopentylacetate
CID 55397003
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 55401435
N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78914133
2-(2,5-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 64980761
N-[(2-fluorophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide
CID 115178036
2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119917364

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide (CID 64616563) is 2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccccc1F)C(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is BUPQHTGSYOMLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-16(13(17)6-10-7-15-8-10)9-11-4-2-3-5-12(11)14/h2-5,10,15H,6-9H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 236.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 64616563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).