1-[4-[(4-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide

C21H21FN2O3 — CID 3152293

IUPAC1-[4-[(4-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)C1CC(=O)N(c2ccc(OCc3ccc(F)cc3)cc2)C1
InChIInChI=1S/C21H21FN2O3/c1-2-11-23-21(26)16-12-20(25)24(13-16)18-7-9-19(10-8-18)27-14-15-3-5-17(22)6-4-15/h2-10,16H,1,11-14H2,(H,23,26)
InChIKeyIFRYBOHFRWWRGM-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.06
Rot. Bonds7

About 1-[4-[(4-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide

1-[4-[(4-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 3152293) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID3152293
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name1-[4-[(4-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)C1CC(=O)N(c2ccc(OCc3ccc(F)cc3)cc2)C1
InChIInChI=1S/C21H21FN2O3/c1-2-11-23-21(26)16-12-20(25)24(13-16)18-7-9-19(10-8-18)27-14-15-3-5-17(22)6-4-15/h2-10,16H,1,11-14H2,(H,23,26)
InChIKeyIFRYBOHFRWWRGM-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-[(4-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide (CID 3152293) is 1-[4-[(4-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide is C=CCNC(=O)C1CC(=O)N(c2ccc(OCc3ccc(F)cc3)cc2)C1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is IFRYBOHFRWWRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-2-11-23-21(26)16-12-20(25)24(13-16)18-7-9-19(10-8-18)27-14-15-3-5-17(22)6-4-15/h2-10,16H,1,11-14H2,(H,23,26).
What are the key properties of 1-[4-[(4-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
1-[4-[(4-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 3152293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).