1-(2-fluorophenyl)-N-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide

C25H23FN2O2 — CID 16557109

IUPAC1-(2-fluorophenyl)-N-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(C(NC(=O)C2CC(=O)N(c3ccccc3F)C2)c2ccccc2)cc1
InChIInChI=1S/C25H23FN2O2/c1-17-11-13-19(14-12-17)24(18-7-3-2-4-8-18)27-25(30)20-15-23(29)28(16-20)22-10-6-5-9-21(22)26/h2-14,20,24H,15-16H2,1H3,(H,27,30)
InChIKeyGACALCNYJNLXTO-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.39
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide

1-(2-fluorophenyl)-N-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 16557109) has the molecular formula C25H23FN2O2 and a molecular weight of 402.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID16557109
Molecular FormulaC25H23FN2O2
Molecular Weight402.47 g/mol
Exact Mass402.17
IUPAC Name1-(2-fluorophenyl)-N-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(C(NC(=O)C2CC(=O)N(c3ccccc3F)C2)c2ccccc2)cc1
InChIInChI=1S/C25H23FN2O2/c1-17-11-13-19(14-12-17)24(18-7-3-2-4-8-18)27-25(30)20-15-23(29)28(16-20)22-10-6-5-9-21(22)26/h2-14,20,24H,15-16H2,1H3,(H,27,30)
InChIKeyGACALCNYJNLXTO-UHFFFAOYSA-N
XLogP4.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 51175319
N-benzhydryl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080682
1-(2-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46586593
(2R)-2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363195
N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 43024563
3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119237470
1-(2-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43022713
(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 95126966
(3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 41178267
1-(4-methylphenyl)-5-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 51152076
1-(2-fluorophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 580303
(3S)-N-benzhydryl-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40965651

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide (CID 16557109) is 1-(2-fluorophenyl)-N-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(C(NC(=O)C2CC(=O)N(c3ccccc3F)C2)c2ccccc2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GACALCNYJNLXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O2/c1-17-11-13-19(14-12-17)24(18-7-3-2-4-8-18)27-25(30)20-15-23(29)28(16-20)22-10-6-5-9-21(22)26/h2-14,20,24H,15-16H2,1H3,(H,27,30).
What are the key properties of 1-(2-fluorophenyl)-N-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-fluorophenyl)-N-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 16557109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).