1-(2-fluoro-4-methylphenyl)-5-oxo-N-[3-(1-phenylethoxy)propyl]pyrrolidine-3-carboxamide

C23H27FN2O3 — CID 55615728

IUPAC1-(2-fluoro-4-methylphenyl)-5-oxo-N-[3-(1-phenylethoxy)propyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCCCOC(C)c3ccccc3)CC2=O)c(F)c1
InChIInChI=1S/C23H27FN2O3/c1-16-9-10-21(20(24)13-16)26-15-19(14-22(26)27)23(28)25-11-6-12-29-17(2)18-7-4-3-5-8-18/h3-5,7-10,13,17,19H,6,11-12,14-15H2,1-2H3,(H,25,28)
InChIKeyGZWJZLRAYCSYEE-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.77
Rot. Bonds8

About 1-(2-fluoro-4-methylphenyl)-5-oxo-N-[3-(1-phenylethoxy)propyl]pyrrolidine-3-carboxamide

1-(2-fluoro-4-methylphenyl)-5-oxo-N-[3-(1-phenylethoxy)propyl]pyrrolidine-3-carboxamide (PubChem CID 55615728) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-5-oxo-N-[3-(1-phenylethoxy)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-5-oxo-N-[3-(1-phenylethoxy)propyl]pyrrolidine-3-carboxamide
PubChem CID55615728
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name1-(2-fluoro-4-methylphenyl)-5-oxo-N-[3-(1-phenylethoxy)propyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCCCOC(C)c3ccccc3)CC2=O)c(F)c1
InChIInChI=1S/C23H27FN2O3/c1-16-9-10-21(20(24)13-16)26-15-19(14-22(26)27)23(28)25-11-6-12-29-17(2)18-7-4-3-5-8-18/h3-5,7-10,13,17,19H,6,11-12,14-15H2,1-2H3,(H,25,28)
InChIKeyGZWJZLRAYCSYEE-UHFFFAOYSA-N
XLogP3.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoro-4-methylphenyl)-N-(3-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide
CID 111429196
1-(2-fluoro-4-methylphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide
CID 55751672
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
tert-butyl N-[2-[[(3S)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]carbamate
CID 52536326
(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 95126966
1-(2,5-dimethylphenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 17151802
1-(2-fluoro-4-methylphenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55695071
1-(2-fluoro-4-methylphenyl)-N-[(1-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 111539807
1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 55750077
(3S)-1-(2-fluoro-4-methylphenyl)-N-(2-imidazol-1-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 94021870
(3S)-1-(2,4-difluorophenyl)-N-[3-(N-methylanilino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 51938382

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-5-oxo-N-[3-(1-phenylethoxy)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-5-oxo-N-[3-(1-phenylethoxy)propyl]pyrrolidine-3-carboxamide (CID 55615728) is 1-(2-fluoro-4-methylphenyl)-5-oxo-N-[3-(1-phenylethoxy)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-5-oxo-N-[3-(1-phenylethoxy)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-5-oxo-N-[3-(1-phenylethoxy)propyl]pyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCCCOC(C)c3ccccc3)CC2=O)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-5-oxo-N-[3-(1-phenylethoxy)propyl]pyrrolidine-3-carboxamide?
The InChIKey is GZWJZLRAYCSYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-16-9-10-21(20(24)13-16)26-15-19(14-22(26)27)23(28)25-11-6-12-29-17(2)18-7-4-3-5-8-18/h3-5,7-10,13,17,19H,6,11-12,14-15H2,1-2H3,(H,25,28).
What are the key properties of 1-(2-fluoro-4-methylphenyl)-5-oxo-N-[3-(1-phenylethoxy)propyl]pyrrolidine-3-carboxamide?
1-(2-fluoro-4-methylphenyl)-5-oxo-N-[3-(1-phenylethoxy)propyl]pyrrolidine-3-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 3.77, 8 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-[3-(1-phenylethoxy)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55615728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).