4-(azidomethyl)-1-[2-(2-fluoroethoxy)phenyl]pyrrolidin-2-one

C13H15FN4O2 — CID 168658012

IUPAC4-(azidomethyl)-1-[2-(2-fluoroethoxy)phenyl]pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2ccccc2OCCF)C1
InChIInChI=1S/C13H15FN4O2/c14-5-6-20-12-4-2-1-3-11(12)18-9-10(7-13(18)19)8-16-17-15/h1-4,10H,5-9H2
InChIKeyQWYLBPWFSQARRZ-UHFFFAOYSA-N
MW278.29 g/mol
LogP2.70
Rot. Bonds6

About 4-(azidomethyl)-1-[2-(2-fluoroethoxy)phenyl]pyrrolidin-2-one

4-(azidomethyl)-1-[2-(2-fluoroethoxy)phenyl]pyrrolidin-2-one (PubChem CID 168658012) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 4-(azidomethyl)-1-[2-(2-fluoroethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-[2-(2-fluoroethoxy)phenyl]pyrrolidin-2-one
PubChem CID168658012
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name4-(azidomethyl)-1-[2-(2-fluoroethoxy)phenyl]pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2ccccc2OCCF)C1
InChIInChI=1S/C13H15FN4O2/c14-5-6-20-12-4-2-1-3-11(12)18-9-10(7-13(18)19)8-16-17-15/h1-4,10H,5-9H2
InChIKeyQWYLBPWFSQARRZ-UHFFFAOYSA-N
XLogP2.70
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-(azidomethyl)-1-[2-(2-fluoroethoxy)phenyl]pyrrolidin-2-one 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

4-(azidomethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 168656468
4-(azidomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 168656777
4-(azidomethyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168658142
4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 168658001
4-(azidomethyl)-1-(4-methyl-2-propoxyphenyl)pyrrolidin-2-one
CID 168656048
4-(azidomethyl)-1-[2-(2-hydroxyethyl)phenyl]pyrrolidin-2-one
CID 168658155
4-(azidomethyl)-1-[2-(phenoxymethyl)phenyl]pyrrolidin-2-one
CID 168658165
4-(azidomethyl)-1-(2-cyclopropylphenyl)pyrrolidin-2-one
CID 168658146
4-(azidomethyl)-1-[2-(methylamino)phenyl]pyrrolidin-2-one
CID 168656259
1-[2-(2-fluoroethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715679
4-(azidomethyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168658023
4-(azidomethyl)-1-(2-bromo-3-chlorophenyl)pyrrolidin-2-one
CID 168658393

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-[2-(2-fluoroethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-[2-(2-fluoroethoxy)phenyl]pyrrolidin-2-one (CID 168658012) is 4-(azidomethyl)-1-[2-(2-fluoroethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-[2-(2-fluoroethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-[2-(2-fluoroethoxy)phenyl]pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(c2ccccc2OCCF)C1.
What is the InChIKey of 4-(azidomethyl)-1-[2-(2-fluoroethoxy)phenyl]pyrrolidin-2-one?
The InChIKey is QWYLBPWFSQARRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c14-5-6-20-12-4-2-1-3-11(12)18-9-10(7-13(18)19)8-16-17-15/h1-4,10H,5-9H2.
What are the key properties of 4-(azidomethyl)-1-[2-(2-fluoroethoxy)phenyl]pyrrolidin-2-one?
4-(azidomethyl)-1-[2-(2-fluoroethoxy)phenyl]pyrrolidin-2-one has a molecular weight of 278.29 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-[2-(2-fluoroethoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168658012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).