N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide

C14H19FN2O — CID 778881

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O/c1-2-17-9-3-4-13(17)10-16-14(18)11-5-7-12(15)8-6-11/h5-8,13H,2-4,9-10H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyKXSZOAALIHQNFE-ZDUSSCGKSA-N
MW250.32 g/mol
LogP2.04
Rot. Bonds4

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide (PubChem CID 778881) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
PubChem CID778881
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O/c1-2-17-9-3-4-13(17)10-16-14(18)11-5-7-12(15)8-6-11/h5-8,13H,2-4,9-10H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyKXSZOAALIHQNFE-ZDUSSCGKSA-N
XLogP2.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
CID 62248150
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
CID 47007650
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107021319
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 8839764
4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide
CID 8839766
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-3-methylsulfonylbenzamide;hydrochloride
CID 129051547
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 71899768
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62165372
cis-(1S,2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 124740614
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 56951797
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide (CID 778881) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide is CCN1CCC[C@H]1CNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide?
The InChIKey is KXSZOAALIHQNFE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-17-9-3-4-13(17)10-16-14(18)11-5-7-12(15)8-6-11/h5-8,13H,2-4,9-10H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide has a molecular weight of 250.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 778881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).