2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide

C11H12F2N2O — CID 79689143

IUPAC2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCNC1)c1c(F)cccc1F
InChIInChI=1S/C11H12F2N2O/c12-8-2-1-3-9(13)10(8)11(16)15-7-4-5-14-6-7/h1-3,7,14H,4-6H2,(H,15,16)/t7-/m0/s1
InChIKeyFZZZNOAYPXYZBK-ZETCQYMHSA-N
MW226.23 g/mol
LogP1.06
Rot. Bonds2

About 2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide

2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 79689143) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID79689143
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCNC1)c1c(F)cccc1F
InChIInChI=1S/C11H12F2N2O/c12-8-2-1-3-9(13)10(8)11(16)15-7-4-5-14-6-7/h1-3,7,14H,4-6H2,(H,15,16)/t7-/m0/s1
InChIKeyFZZZNOAYPXYZBK-ZETCQYMHSA-N
XLogP1.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385702
2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide
CID 107016089
2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 81461356
2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 106995199
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79773554
2-fluoro-6-hydroxy-N-(4-methylpiperidin-3-yl)benzamide
CID 107014738
N-(5-azaspiro[3.5]nonan-8-yl)-2,6-difluorobenzamide
CID 43595348
N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide
CID 105059143
2,6-dimethyl-N-piperidin-3-ylbenzamide
CID 114025985
2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79749815
3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 81265233

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 79689143) is 2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide is O=C(N[C@H]1CCNC1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is FZZZNOAYPXYZBK-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12F2N2O/c12-8-2-1-3-9(13)10(8)11(16)15-7-4-5-14-6-7/h1-3,7,14H,4-6H2,(H,15,16)/t7-/m0/s1.
What are the key properties of 2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide?
2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 226.23 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 79689143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).