N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide

C13H15FN2O2 — CID 110871339

IUPACN-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H15FN2O2/c1-9(17)16-7-6-12(8-16)15-13(18)10-2-4-11(14)5-3-10/h2-5,12H,6-8H2,1H3,(H,15,18)
InChIKeyZOMDSENWXHNJLV-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.18
Rot. Bonds2

About N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide

N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide (PubChem CID 110871339) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide
PubChem CID110871339
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC NameN-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H15FN2O2/c1-9(17)16-7-6-12(8-16)15-13(18)10-2-4-11(14)5-3-10/h2-5,12H,6-8H2,1H3,(H,15,18)
InChIKeyZOMDSENWXHNJLV-UHFFFAOYSA-N
XLogP1.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 124508544
4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47368477
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide
CID 89224691
4-fluoro-N-[1-(4-fluorobenzoyl)piperidin-3-yl]benzamide
CID 11450767
4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide
CID 46592883
1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 95051733
N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
CID 17463259
N-(1-acetylpiperidin-4-yl)-3-bromo-4-fluorobenzamide
CID 103706469
(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413852
N-(1-acetylpiperidin-4-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 51221242
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508951

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide?
The IUPAC name of N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide (CID 110871339) is N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide?
The canonical SMILES for N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide is CC(=O)N1CCC(NC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide?
The InChIKey is ZOMDSENWXHNJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-9(17)16-7-6-12(8-16)15-13(18)10-2-4-11(14)5-3-10/h2-5,12H,6-8H2,1H3,(H,15,18).
What are the key properties of N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide?
N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide has a molecular weight of 250.27 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide is sourced from PubChem (CID 110871339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).