N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C19H19FN2O2 — CID 2883840

IUPACN-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)c(C)c1
InChIInChI=1S/C19H19FN2O2/c1-12-3-8-17(13(2)9-12)21-19(24)14-10-18(23)22(11-14)16-6-4-15(20)5-7-16/h3-9,14H,10-11H2,1-2H3,(H,21,24)
InChIKeyAPCRXNYLTQVEOI-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.43
Rot. Bonds3

About N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2883840) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2883840
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)c(C)c1
InChIInChI=1S/C19H19FN2O2/c1-12-3-8-17(13(2)9-12)21-19(24)14-10-18(23)22(11-14)16-6-4-15(20)5-7-16/h3-9,14H,10-11H2,1-2H3,(H,21,24)
InChIKeyAPCRXNYLTQVEOI-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 33398015
(3S)-N-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 847984
(3S)-1-(4-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 679855
1-(4-bromo-3-methylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578133
N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4779713
N-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 45132865
N-(2-chloro-4,6-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187357
(3R)-1-(4-fluorophenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40977882
1-(3-acetylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188811
(3S)-N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 680186
(3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 755530
(3R)-1-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40964228

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 2883840) is N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(NC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is APCRXNYLTQVEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-12-3-8-17(13(2)9-12)21-19(24)14-10-18(23)22(11-14)16-6-4-15(20)5-7-16/h3-9,14H,10-11H2,1-2H3,(H,21,24).
What are the key properties of N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2883840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).