3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide

C12H14F2N2O — CID 110473062

IUPAC3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCN1CCC(NC(=O)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C12H14F2N2O/c1-16-3-2-11(7-16)15-12(17)8-4-9(13)6-10(14)5-8/h4-6,11H,2-3,7H2,1H3,(H,15,17)
InChIKeyCIXXVWMIGCOGCY-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.40
Rot. Bonds2

About 3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide

3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide (PubChem CID 110473062) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
PubChem CID110473062
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCN1CCC(NC(=O)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C12H14F2N2O/c1-16-3-2-11(7-16)15-12(17)8-4-9(13)6-10(14)5-8/h4-6,11H,2-3,7H2,1H3,(H,15,17)
InChIKeyCIXXVWMIGCOGCY-UHFFFAOYSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 63185966
4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47368477
3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 63185967
3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 104852532
3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
CID 61094399
4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 107074871
3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide
CID 61342409
4-[(1-methylpyrrolidin-3-yl)carbamoyl]benzenesulfonyl fluoride
CID 156645477
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
5,6-dichloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 54950034
3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47375158
3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 107120812

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide (CID 110473062) is 3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide is CN1CCC(NC(=O)c2cc(F)cc(F)c2)C1.
What is the InChIKey of 3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide?
The InChIKey is CIXXVWMIGCOGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-16-3-2-11(7-16)15-12(17)8-4-9(13)6-10(14)5-8/h4-6,11H,2-3,7H2,1H3,(H,15,17).
What are the key properties of 3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide?
3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide has a molecular weight of 240.25 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 110473062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).