N-[2-(2,5-difluorophenyl)ethyl]-N-methylazetidine-3-carboxamide

C13H16F2N2O — CID 115159086

IUPACN-[2-(2,5-difluorophenyl)ethyl]-N-methylazetidine-3-carboxamide
SMILESCN(CCc1cc(F)ccc1F)C(=O)C1CNC1
InChIInChI=1S/C13H16F2N2O/c1-17(13(18)10-7-16-8-10)5-4-9-6-11(14)2-3-12(9)15/h2-3,6,10,16H,4-5,7-8H2,1H3
InChIKeyJICWYLXAFVHIQB-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.19
Rot. Bonds4

About N-[2-(2,5-difluorophenyl)ethyl]-N-methylazetidine-3-carboxamide

N-[2-(2,5-difluorophenyl)ethyl]-N-methylazetidine-3-carboxamide (PubChem CID 115159086) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)ethyl]-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)ethyl]-N-methylazetidine-3-carboxamide
PubChem CID115159086
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-[2-(2,5-difluorophenyl)ethyl]-N-methylazetidine-3-carboxamide
SMILESCN(CCc1cc(F)ccc1F)C(=O)C1CNC1
InChIInChI=1S/C13H16F2N2O/c1-17(13(18)10-7-16-8-10)5-4-9-6-11(14)2-3-12(9)15/h2-3,6,10,16H,4-5,7-8H2,1H3
InChIKeyJICWYLXAFVHIQB-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
CID 115162189
N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141045
1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190020
2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
CID 115173346
N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 115159581
(3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide
CID 124685580
3-(2,5-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide
CID 119443603
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
CID 115158922
4-[2-(2,5-difluorophenyl)ethyl-methylamino]cyclohexan-1-ol
CID 115149605
2-[3-(2,5-difluorophenyl)propanoyl-methylamino]acetic acid
CID 119171811
2-[2-(2,5-difluorophenyl)ethyl-methylamino]ethanol
CID 115216384
(2,5-difluorophenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
CID 69140938

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]-N-methylazetidine-3-carboxamide?
The IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]-N-methylazetidine-3-carboxamide (CID 115159086) is N-[2-(2,5-difluorophenyl)ethyl]-N-methylazetidine-3-carboxamide.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)ethyl]-N-methylazetidine-3-carboxamide?
The canonical SMILES for N-[2-(2,5-difluorophenyl)ethyl]-N-methylazetidine-3-carboxamide is CN(CCc1cc(F)ccc1F)C(=O)C1CNC1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)ethyl]-N-methylazetidine-3-carboxamide?
The InChIKey is JICWYLXAFVHIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-17(13(18)10-7-16-8-10)5-4-9-6-11(14)2-3-12(9)15/h2-3,6,10,16H,4-5,7-8H2,1H3.
What are the key properties of N-[2-(2,5-difluorophenyl)ethyl]-N-methylazetidine-3-carboxamide?
N-[2-(2,5-difluorophenyl)ethyl]-N-methylazetidine-3-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)ethyl]-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 115159086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).