N-[[(2S)-1-butanoylpyrrolidin-2-yl]methyl]-3-fluoro-4-methylbenzamide

C17H23FN2O2 — CID 167976334

IUPACN-[[(2S)-1-butanoylpyrrolidin-2-yl]methyl]-3-fluoro-4-methylbenzamide
SMILESCCCC(=O)N1CCC[C@H]1CNC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C17H23FN2O2/c1-3-5-16(21)20-9-4-6-14(20)11-19-17(22)13-8-7-12(2)15(18)10-13/h7-8,10,14H,3-6,9,11H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyADVPHLHBAOBJNJ-AWEZNQCLSA-N
MW306.38 g/mol
LogP2.66
Rot. Bonds5

About N-[[(2S)-1-butanoylpyrrolidin-2-yl]methyl]-3-fluoro-4-methylbenzamide

N-[[(2S)-1-butanoylpyrrolidin-2-yl]methyl]-3-fluoro-4-methylbenzamide (PubChem CID 167976334) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[[(2S)-1-butanoylpyrrolidin-2-yl]methyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[[(2S)-1-butanoylpyrrolidin-2-yl]methyl]-3-fluoro-4-methylbenzamide
PubChem CID167976334
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC NameN-[[(2S)-1-butanoylpyrrolidin-2-yl]methyl]-3-fluoro-4-methylbenzamide
SMILESCCCC(=O)N1CCC[C@H]1CNC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C17H23FN2O2/c1-3-5-16(21)20-9-4-6-14(20)11-19-17(22)13-8-7-12(2)15(18)10-13/h7-8,10,14H,3-6,9,11H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyADVPHLHBAOBJNJ-AWEZNQCLSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[(2S)-1-butanoylpyrrolidin-2-yl]methyl]-3-fluoro-4-methylbenzamide 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

N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119651466
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 62664386
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107021319
N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride
CID 119313514
N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]-4-fluorobenzamide
CID 119631800
4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 110473663
4-[[(2S)-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900674
tert-butyl 2-[[(3-fluorobenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 123815493
N-[[1-(3-ethoxy-4-methylbenzoyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 138031568
3,4-difluoro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 72719264
3,4-difluoro-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]benzamide
CID 99903473
(3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96575750

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-butanoylpyrrolidin-2-yl]methyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[[(2S)-1-butanoylpyrrolidin-2-yl]methyl]-3-fluoro-4-methylbenzamide (CID 167976334) is N-[[(2S)-1-butanoylpyrrolidin-2-yl]methyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[[(2S)-1-butanoylpyrrolidin-2-yl]methyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[[(2S)-1-butanoylpyrrolidin-2-yl]methyl]-3-fluoro-4-methylbenzamide is CCCC(=O)N1CCC[C@H]1CNC(=O)c1ccc(C)c(F)c1.
What is the InChIKey of N-[[(2S)-1-butanoylpyrrolidin-2-yl]methyl]-3-fluoro-4-methylbenzamide?
The InChIKey is ADVPHLHBAOBJNJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-3-5-16(21)20-9-4-6-14(20)11-19-17(22)13-8-7-12(2)15(18)10-13/h7-8,10,14H,3-6,9,11H2,1-2H3,(H,19,22)/t14-/m0/s1.
What are the key properties of N-[[(2S)-1-butanoylpyrrolidin-2-yl]methyl]-3-fluoro-4-methylbenzamide?
N-[[(2S)-1-butanoylpyrrolidin-2-yl]methyl]-3-fluoro-4-methylbenzamide has a molecular weight of 306.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-butanoylpyrrolidin-2-yl]methyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 167976334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).