N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide

C13H16F2N2O — CID 110865261

IUPACN-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
SMILESCN1CCCC1CC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O/c1-17-7-3-4-9(17)8-12(18)16-13-10(14)5-2-6-11(13)15/h2,5-6,9H,3-4,7-8H2,1H3,(H,16,18)
InChIKeyCFBPQRXRUZOXBO-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.39
Rot. Bonds3

About N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide

N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide (PubChem CID 110865261) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
PubChem CID110865261
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
SMILESCN1CCCC1CC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O/c1-17-7-3-4-9(17)8-12(18)16-13-10(14)5-2-6-11(13)15/h2,5-6,9H,3-4,7-8H2,1H3,(H,16,18)
InChIKeyCFBPQRXRUZOXBO-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-difluorophenyl)-3-(1-methylpiperidin-2-yl)propanamide
CID 110865271
N-(2,6-dimethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857550
N-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110856788
2,6-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655066
N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide
CID 106025192
N-(4-acetylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110861173
N-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110858473
N-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110857805
N-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide
CID 110865260
2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862093
N-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110857374
N-(3-acetylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110861048

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide (CID 110865261) is N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide is CN1CCCC1CC(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide?
The InChIKey is CFBPQRXRUZOXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-17-7-3-4-9(17)8-12(18)16-13-10(14)5-2-6-11(13)15/h2,5-6,9H,3-4,7-8H2,1H3,(H,16,18).
What are the key properties of N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide?
N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide has a molecular weight of 254.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide is sourced from PubChem (CID 110865261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).