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

C22H21FN4O2 — CID 46663719

IUPAC1-(2-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CC(=O)N(c2ccccc2F)C1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H21FN4O2/c1-15(16-6-8-18(9-7-16)26-11-10-24-14-26)25-22(29)17-12-21(28)27(13-17)20-5-3-2-4-19(20)23/h2-11,14-15,17H,12-13H2,1H3,(H,25,29)
InChIKeyVVZQNLOEFGQUFD-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.24
Rot. Bonds5

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

1-(2-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46663719) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46663719
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name1-(2-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CC(=O)N(c2ccccc2F)C1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H21FN4O2/c1-15(16-6-8-18(9-7-16)26-11-10-24-14-26)25-22(29)17-12-21(28)27(13-17)20-5-3-2-4-19(20)23/h2-11,14-15,17H,12-13H2,1H3,(H,25,29)
InChIKeyVVZQNLOEFGQUFD-UHFFFAOYSA-N
XLogP3.24
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide 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

1-(2-fluorophenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 51175319
1-(2-fluorophenyl)-N-[1-(3-fluoro-4-pyridinyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 166181824
N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 43024563
1-(2-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43022713
1-(2-methoxyphenyl)-5-oxo-N-(1-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 78775658
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 18112957
(3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 41178267
1-(2-fluorophenyl)-N-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 16557109
1-(2-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55637454
1-(2-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46586593
(3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 684343
(2R)-2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363195

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 46663719) is 1-(2-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is CC(NC(=O)C1CC(=O)N(c2ccccc2F)C1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VVZQNLOEFGQUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-15(16-6-8-18(9-7-16)26-11-10-24-14-26)25-22(29)17-12-21(28)27(13-17)20-5-3-2-4-19(20)23/h2-11,14-15,17H,12-13H2,1H3,(H,25,29).
What are the key properties of 1-(2-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46663719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).