4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide

C12H15FN2O — CID 47368477

IUPAC4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C12H15FN2O/c1-15-7-6-11(8-15)14-12(16)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3,(H,14,16)
InChIKeyHPWZEAZUDJCMFN-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.26
Rot. Bonds2

About 4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide

4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide (PubChem CID 47368477) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
PubChem CID47368477
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C12H15FN2O/c1-15-7-6-11(8-15)14-12(16)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3,(H,14,16)
InChIKeyHPWZEAZUDJCMFN-UHFFFAOYSA-N
XLogP1.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110473062
4-[(1-methylpyrrolidin-3-yl)carbamoyl]benzenesulfonyl fluoride
CID 156645477
N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide
CID 110871339
4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 63185966
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide
CID 89224691
4-fluoro-N-[(2S)-1-[[(3R)-1-methylpyrrolidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 165121978
4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 107074871
3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 63185967
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 47375161

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide (CID 47368477) is 4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide is CN1CCC(NC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide?
The InChIKey is HPWZEAZUDJCMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-15-7-6-11(8-15)14-12(16)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3,(H,14,16).
What are the key properties of 4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide?
4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide has a molecular weight of 222.26 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 47368477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).