1-[(4-fluorophenyl)methyl]-N-[3-(N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide

C22H26FN3O2 — CID 4307375

IUPAC1-[(4-fluorophenyl)methyl]-N-[3-(N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide
SMILESCN(CCCNC(=O)C1CCC(=O)N1Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C22H26FN3O2/c1-25(19-6-3-2-4-7-19)15-5-14-24-22(28)20-12-13-21(27)26(20)16-17-8-10-18(23)11-9-17/h2-4,6-11,20H,5,12-16H2,1H3,(H,24,28)
InChIKeyGVSNPCUSJLCNQS-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.96
Rot. Bonds8

About 1-[(4-fluorophenyl)methyl]-N-[3-(N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide

1-[(4-fluorophenyl)methyl]-N-[3-(N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 4307375) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[3-(N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[3-(N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID4307375
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[3-(N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide
SMILESCN(CCCNC(=O)C1CCC(=O)N1Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C22H26FN3O2/c1-25(19-6-3-2-4-7-19)15-5-14-24-22(28)20-12-13-21(27)26(20)16-17-8-10-18(23)11-9-17/h2-4,6-11,20H,5,12-16H2,1H3,(H,24,28)
InChIKeyGVSNPCUSJLCNQS-UHFFFAOYSA-N
XLogP2.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.96
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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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[3-(N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[3-(N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide (CID 4307375) is 1-[(4-fluorophenyl)methyl]-N-[3-(N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[3-(N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[3-(N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide is CN(CCCNC(=O)C1CCC(=O)N1Cc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[3-(N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is GVSNPCUSJLCNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-25(19-6-3-2-4-7-19)15-5-14-24-22(28)20-12-13-21(27)26(20)16-17-8-10-18(23)11-9-17/h2-4,6-11,20H,5,12-16H2,1H3,(H,24,28).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[3-(N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[3-(N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[3-(N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 4307375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).