2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide

C13H16F2N2O — CID 114793746

IUPAC2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
SMILESO=C(NCCC1CCCN1)c1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O/c14-10-4-1-5-11(15)12(10)13(18)17-8-6-9-3-2-7-16-9/h1,4-5,9,16H,2-3,6-8H2,(H,17,18)
InChIKeyLRFRLYUIKAVKHJ-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.84
Rot. Bonds4

About 2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide

2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide (PubChem CID 114793746) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
PubChem CID114793746
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
SMILESO=C(NCCC1CCCN1)c1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O/c14-10-4-1-5-11(15)12(10)13(18)17-8-6-9-3-2-7-16-9/h1,4-5,9,16H,2-3,6-8H2,(H,17,18)
InChIKeyLRFRLYUIKAVKHJ-UHFFFAOYSA-N
XLogP1.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluorophenyl)-N-(2-pyrrolidin-2-ylethyl)acetamide
CID 114793681
5-bromo-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972072
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
2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
2,3,4-trifluoro-N-(2-piperidin-2-ylethyl)benzamide
CID 79749077
5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793819
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793555
4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955112
3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 107098372

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide?
The IUPAC name of 2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide (CID 114793746) is 2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide is O=C(NCCC1CCCN1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide?
The InChIKey is LRFRLYUIKAVKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c14-10-4-1-5-11(15)12(10)13(18)17-8-6-9-3-2-7-16-9/h1,4-5,9,16H,2-3,6-8H2,(H,17,18).
What are the key properties of 2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide?
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide has a molecular weight of 254.28 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide is sourced from PubChem (CID 114793746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).