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

C15H16FN3O2 — CID 6464015

IUPACN-(cyanomethyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESN#CCNC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C15H16FN3O2/c16-13-3-1-11(2-4-13)5-8-19-10-12(9-14(19)20)15(21)18-7-6-17/h1-4,12H,5,7-10H2,(H,18,21)
InChIKeyHDMKECXIUTUHAE-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.86
Rot. Bonds5

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

N-(cyanomethyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 6464015) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(cyanomethyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID6464015
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC NameN-(cyanomethyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESN#CCNC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C15H16FN3O2/c16-13-3-1-11(2-4-13)5-8-19-10-12(9-14(19)20)15(21)18-7-6-17/h1-4,12H,5,7-10H2,(H,18,21)
InChIKeyHDMKECXIUTUHAE-UHFFFAOYSA-N
XLogP0.86
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Nebracetam
CID 65926
BN-201
CID 66610682
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3239373
N-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 3663590
1-cyclopentyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 5090685
1-[2-(4-Fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6462581
methyl N-({1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl}carbonyl)glycinate
CID 6463976
N-cyclohexyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6497407
1-[2-(4-fluorophenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 6497419
2-((2,5-Dioxo-1-phenethylpyrrolidin-3-yl)amino)acetamide
CID 3126833
1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide
CID 4251323

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(cyanomethyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 6464015) is N-(cyanomethyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(cyanomethyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is N#CCNC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1.
What is the InChIKey of N-(cyanomethyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HDMKECXIUTUHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-13-3-1-11(2-4-13)5-8-19-10-12(9-14(19)20)15(21)18-7-6-17/h1-4,12H,5,7-10H2,(H,18,21).
What are the key properties of N-(cyanomethyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-(cyanomethyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6464015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).