2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide

C13H17FN2O — CID 64616556

IUPAC2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CC2CNC2)cc1F
InChIInChI=1S/C13H17FN2O/c1-9-2-3-10(4-12(9)14)8-16-13(17)5-11-6-15-7-11/h2-4,11,15H,5-8H2,1H3,(H,16,17)
InChIKeyAQRDEUMRXNQCJN-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.36
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide

2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide (PubChem CID 64616556) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
PubChem CID64616556
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CC2CNC2)cc1F
InChIInChI=1S/C13H17FN2O/c1-9-2-3-10(4-12(9)14)8-16-13(17)5-11-6-15-7-11/h2-4,11,15H,5-8H2,1H3,(H,16,17)
InChIKeyAQRDEUMRXNQCJN-UHFFFAOYSA-N
XLogP1.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 64616743
N-[(3-fluoro-4-methylphenyl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119697510
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide
CID 115160672
N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
CID 43388450
3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 62833982
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 112722635
3-[(3-fluoro-4-methylphenyl)methyl]azetidine
CID 63647017
2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 107129770
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 38949085
2-(3,5-dimethylpiperazin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 63871978
N-[(3-fluoro-4-methylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 112722669
6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide
CID 43471392

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide (CID 64616556) is 2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CC2CNC2)cc1F.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
The InChIKey is AQRDEUMRXNQCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-2-3-10(4-12(9)14)8-16-13(17)5-11-6-15-7-11/h2-4,11,15H,5-8H2,1H3,(H,16,17).
What are the key properties of 2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide has a molecular weight of 236.29 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 64616556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).