2-(2,6-difluorophenyl)-N-(2-pyrrolidin-2-ylethyl)acetamide

C14H18F2N2O — CID 114793681

IUPAC2-(2,6-difluorophenyl)-N-(2-pyrrolidin-2-ylethyl)acetamide
SMILESO=C(Cc1c(F)cccc1F)NCCC1CCCN1
InChIInChI=1S/C14H18F2N2O/c15-12-4-1-5-13(16)11(12)9-14(19)18-8-6-10-3-2-7-17-10/h1,4-5,10,17H,2-3,6-9H2,(H,18,19)
InChIKeyCJJYXWKPDZXWJN-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.77
Rot. Bonds5

About 2-(2,6-difluorophenyl)-N-(2-pyrrolidin-2-ylethyl)acetamide

2-(2,6-difluorophenyl)-N-(2-pyrrolidin-2-ylethyl)acetamide (PubChem CID 114793681) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-(2-pyrrolidin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-(2-pyrrolidin-2-ylethyl)acetamide
PubChem CID114793681
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-(2,6-difluorophenyl)-N-(2-pyrrolidin-2-ylethyl)acetamide
SMILESO=C(Cc1c(F)cccc1F)NCCC1CCCN1
InChIInChI=1S/C14H18F2N2O/c15-12-4-1-5-13(16)11(12)9-14(19)18-8-6-10-3-2-7-17-10/h1,4-5,10,17H,2-3,6-9H2,(H,18,19)
InChIKeyCJJYXWKPDZXWJN-UHFFFAOYSA-N
XLogP1.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
2-(4-fluorophenyl)-N-(2-piperidin-2-ylethyl)acetamide
CID 24704522
5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971959
5-chloro-2-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955212
N-(2-pyrrolidin-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114793758
2,3,4-trifluoro-N-(2-piperidin-2-ylethyl)benzamide
CID 79749077
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
5-bromo-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972072
4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955112
3-(3,4-difluoro-5-hydroxyphenyl)-N-[2-[(2S)-piperidin-2-yl]ethyl]benzamide
CID 126449277
N-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 141085833
2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-(2-pyrrolidin-2-ylethyl)acetamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-(2-pyrrolidin-2-ylethyl)acetamide (CID 114793681) is 2-(2,6-difluorophenyl)-N-(2-pyrrolidin-2-ylethyl)acetamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-(2-pyrrolidin-2-ylethyl)acetamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-(2-pyrrolidin-2-ylethyl)acetamide is O=C(Cc1c(F)cccc1F)NCCC1CCCN1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-(2-pyrrolidin-2-ylethyl)acetamide?
The InChIKey is CJJYXWKPDZXWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-12-4-1-5-13(16)11(12)9-14(19)18-8-6-10-3-2-7-17-10/h1,4-5,10,17H,2-3,6-9H2,(H,18,19).
What are the key properties of 2-(2,6-difluorophenyl)-N-(2-pyrrolidin-2-ylethyl)acetamide?
2-(2,6-difluorophenyl)-N-(2-pyrrolidin-2-ylethyl)acetamide has a molecular weight of 268.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-(2-pyrrolidin-2-ylethyl)acetamide is sourced from PubChem (CID 114793681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).