1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrrolidine-3-carboxamide

C24H26FN3O3 — CID 55750077

IUPAC1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NC(CN3CCCC3=O)c3ccccc3)CC2=O)c(F)c1
InChIInChI=1S/C24H26FN3O3/c1-16-9-10-21(19(25)12-16)28-14-18(13-23(28)30)24(31)26-20(17-6-3-2-4-7-17)15-27-11-5-8-22(27)29/h2-4,6-7,9-10,12,18,20H,5,8,11,13-15H2,1H3,(H,26,31)
InChIKeyRMLAFHICOQVSSC-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.97
Rot. Bonds6

About 1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrrolidine-3-carboxamide

1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrrolidine-3-carboxamide (PubChem CID 55750077) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrrolidine-3-carboxamide
PubChem CID55750077
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NC(CN3CCCC3=O)c3ccccc3)CC2=O)c(F)c1
InChIInChI=1S/C24H26FN3O3/c1-16-9-10-21(19(25)12-16)28-14-18(13-23(28)30)24(31)26-20(17-6-3-2-4-7-17)15-27-11-5-8-22(27)29/h2-4,6-7,9-10,12,18,20H,5,8,11,13-15H2,1H3,(H,26,31)
InChIKeyRMLAFHICOQVSSC-UHFFFAOYSA-N
XLogP2.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 95126966
1-(2,3-dimethylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 55714326
methyl 3-[[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(4-fluorophenyl)propanoate
CID 55995689
1-(2-fluorophenyl)-N-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 16557109
(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
CID 38618566
1-(2-fluoro-4-methylphenyl)-5-oxo-N-[3-(1-phenylethoxy)propyl]pyrrolidine-3-carboxamide
CID 55615728
2-(2,4-dimethylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide
CID 55749941
1-(2-fluoro-4-methylphenyl)-N-(3-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide
CID 111429196
1-(2-fluoro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55606546
N-[2-(benzenesulfonyl)ethyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55844211
1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46686770
N-(4-amino-3,5-dichlorophenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55628688

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrrolidine-3-carboxamide (CID 55750077) is 1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NC(CN3CCCC3=O)c3ccccc3)CC2=O)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrrolidine-3-carboxamide?
The InChIKey is RMLAFHICOQVSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-16-9-10-21(19(25)12-16)28-14-18(13-23(28)30)24(31)26-20(17-6-3-2-4-7-17)15-27-11-5-8-22(27)29/h2-4,6-7,9-10,12,18,20H,5,8,11,13-15H2,1H3,(H,26,31).
What are the key properties of 1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrrolidine-3-carboxamide?
1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrrolidine-3-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55750077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).