2-N-[2-(3-fluorophenyl)ethyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide

C20H22FN3O3 — CID 6488154

IUPAC2-N-[2-(3-fluorophenyl)ethyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(NCCc1cccc(F)c1)C1CC(O)CN1C(=O)Nc1ccccc1
InChIInChI=1S/C20H22FN3O3/c21-15-6-4-5-14(11-15)9-10-22-19(26)18-12-17(25)13-24(18)20(27)23-16-7-2-1-3-8-16/h1-8,11,17-18,25H,9-10,12-13H2,(H,22,26)(H,23,27)
InChIKeyUAMVSZPMYXPWNS-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.15
Rot. Bonds5

About 2-N-[2-(3-fluorophenyl)ethyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide

2-N-[2-(3-fluorophenyl)ethyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 6488154) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 2-N-[2-(3-fluorophenyl)ethyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(3-fluorophenyl)ethyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID6488154
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name2-N-[2-(3-fluorophenyl)ethyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(NCCc1cccc(F)c1)C1CC(O)CN1C(=O)Nc1ccccc1
InChIInChI=1S/C20H22FN3O3/c21-15-6-4-5-14(11-15)9-10-22-19(26)18-12-17(25)13-24(18)20(27)23-16-7-2-1-3-8-16/h1-8,11,17-18,25H,9-10,12-13H2,(H,22,26)(H,23,27)
InChIKeyUAMVSZPMYXPWNS-UHFFFAOYSA-N
XLogP2.15
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-N-[2-(3-fluorophenyl)ethyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide 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-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N-methyl-2-(phenylamino)acetamide
CID 11256722
N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N-methyl-2-(4-(trifluoromethyl)phenylamino)acetamide
CID 11258701
N1-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N1-methyl-N3-phenylmalonamide
CID 11372452
4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 2-cyclopentylamide 1-phenylamide
CID 3231144
N1-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N1-methyl-N4-phenylsuccinamide
CID 11463580
(4S)-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-1-[(4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 25233329
Nle-D-I-based peptidomimetic ligand, 15
CID 23647426
Pyrrolidine-1,2-dicarboxylic acid 2-(4-fluoro-benzylamide) 1-phenylamide
CID 3219764
Pyrrolidine-1,2-dicarboxylic acid 2-(4-methyl-benzylamide) 1-phenylamide
CID 3221296
Pyrrolidine-1,2-dicarboxylic acid 2-(4-fluoro-benzylamide) 1-[(3-fluoro-phenyl)-amide]
CID 3230246
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 4796296
1-(3-Fluoro-phenyl)-3-[1-(4-hydroxy-piperidine-1-carbonyl)-cyclohexyl]-urea
CID 6487864

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3-fluorophenyl)ethyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-(3-fluorophenyl)ethyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide (CID 6488154) is 2-N-[2-(3-fluorophenyl)ethyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-(3-fluorophenyl)ethyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-(3-fluorophenyl)ethyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide is O=C(NCCc1cccc(F)c1)C1CC(O)CN1C(=O)Nc1ccccc1.
What is the InChIKey of 2-N-[2-(3-fluorophenyl)ethyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is UAMVSZPMYXPWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c21-15-6-4-5-14(11-15)9-10-22-19(26)18-12-17(25)13-24(18)20(27)23-16-7-2-1-3-8-16/h1-8,11,17-18,25H,9-10,12-13H2,(H,22,26)(H,23,27).
What are the key properties of 2-N-[2-(3-fluorophenyl)ethyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide?
2-N-[2-(3-fluorophenyl)ethyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 371.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3-fluorophenyl)ethyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 6488154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).