N-(3-acetamidophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C21H22FN3O3 — CID 6473240

IUPACN-(3-acetamidophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC(=O)N(CCc3ccc(F)cc3)C2)c1
InChIInChI=1S/C21H22FN3O3/c1-14(26)23-18-3-2-4-19(12-18)24-21(28)16-11-20(27)25(13-16)10-9-15-5-7-17(22)8-6-15/h2-8,12,16H,9-11,13H2,1H3,(H,23,26)(H,24,28)
InChIKeyAWSLXCPMJCFVSM-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.81
Rot. Bonds6

About N-(3-acetamidophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

N-(3-acetamidophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 6473240) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID6473240
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC NameN-(3-acetamidophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC(=O)N(CCc3ccc(F)cc3)C2)c1
InChIInChI=1S/C21H22FN3O3/c1-14(26)23-18-3-2-4-19(12-18)24-21(28)16-11-20(27)25(13-16)10-9-15-5-7-17(22)8-6-15/h2-8,12,16H,9-11,13H2,1H3,(H,23,26)(H,24,28)
InChIKeyAWSLXCPMJCFVSM-UHFFFAOYSA-N
XLogP2.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 6473240) is N-(3-acetamidophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)C2CC(=O)N(CCc3ccc(F)cc3)C2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AWSLXCPMJCFVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-14(26)23-18-3-2-4-19(12-18)24-21(28)16-11-20(27)25(13-16)10-9-15-5-7-17(22)8-6-15/h2-8,12,16H,9-11,13H2,1H3,(H,23,26)(H,24,28).
What are the key properties of N-(3-acetamidophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-(3-acetamidophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6473240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).