2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide

C13H16F2N2O — CID 171998342

IUPAC2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CC(C(F)F)C2)cc1
InChIInChI=1S/C13H16F2N2O/c1-9-2-4-11(5-3-9)16-12(18)8-17-6-10(7-17)13(14)15/h2-5,10,13H,6-8H2,1H3,(H,16,18)
InChIKeySLUMLUSSYJJNBC-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.13
Rot. Bonds4

About 2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide

2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 171998342) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID171998342
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CC(C(F)F)C2)cc1
InChIInChI=1S/C13H16F2N2O/c1-9-2-4-11(5-3-9)16-12(18)8-17-6-10(7-17)13(14)15/h2-5,10,13H,6-8H2,1H3,(H,16,18)
InChIKeySLUMLUSSYJJNBC-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 171327661
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 112630158
2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 63874471
2-[3-(difluoromethyl)azetidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 171999146
2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116683844
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 62372251
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 61297774
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 120761401
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-(4-methylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196968
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide (CID 171998342) is 2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CC(C(F)F)C2)cc1.
What is the InChIKey of 2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is SLUMLUSSYJJNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-9-2-4-11(5-3-9)16-12(18)8-17-6-10(7-17)13(14)15/h2-5,10,13H,6-8H2,1H3,(H,16,18).
What are the key properties of 2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide?
2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 254.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 171998342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).