4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

C24H27FN2O2 — CID 55805389

IUPAC4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2CC(C(=O)N3CCCC3Cc3cccc(F)c3)CC2=O)cc1
InChIInChI=1S/C24H27FN2O2/c1-17-7-9-18(10-8-17)15-26-16-20(14-23(26)28)24(29)27-11-3-6-22(27)13-19-4-2-5-21(25)12-19/h2,4-5,7-10,12,20,22H,3,6,11,13-16H2,1H3
InChIKeyFTQQTWKQRXVCAL-UHFFFAOYSA-N
MW394.49 g/mol
LogP3.72
Rot. Bonds5

About 4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 55805389) has the molecular formula C24H27FN2O2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID55805389
Molecular FormulaC24H27FN2O2
Molecular Weight394.49 g/mol
Exact Mass394.21
IUPAC Name4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2CC(C(=O)N3CCCC3Cc3cccc(F)c3)CC2=O)cc1
InChIInChI=1S/C24H27FN2O2/c1-17-7-9-18(10-8-17)15-26-16-20(14-23(26)28)24(29)27-11-3-6-22(27)13-19-4-2-5-21(25)12-19/h2,4-5,7-10,12,20,22H,3,6,11,13-16H2,1H3
InChIKeyFTQQTWKQRXVCAL-UHFFFAOYSA-N
XLogP3.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one 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

[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120624041
[(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone
CID 125148175
4-(3-aminopiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 119379101
(3R)-1-[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 124697224
(3S)-1-[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 124697232
(3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 34904790
[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651602
2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119296824
1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 119137735
3-[(3S)-1-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 124697164
1-[2-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one
CID 124609289
4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 120560785

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (CID 55805389) is 4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is Cc1ccc(CN2CC(C(=O)N3CCCC3Cc3cccc(F)c3)CC2=O)cc1.
What is the InChIKey of 4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is FTQQTWKQRXVCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2/c1-17-7-9-18(10-8-17)15-26-16-20(14-23(26)28)24(29)27-11-3-6-22(27)13-19-4-2-5-21(25)12-19/h2,4-5,7-10,12,20,22H,3,6,11,13-16H2,1H3.
What are the key properties of 4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 394.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 55805389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).