N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H19FN2O2 — CID 3797114

IUPACN-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3cc(C)ccc3F)CC2=O)cc1
InChIInChI=1S/C19H19FN2O2/c1-12-3-6-15(7-4-12)22-11-14(10-18(22)23)19(24)21-17-9-13(2)5-8-16(17)20/h3-9,14H,10-11H2,1-2H3,(H,21,24)
InChIKeyFOEGCJTWAXQWRB-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.43
Rot. Bonds3

About N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3797114) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3797114
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3cc(C)ccc3F)CC2=O)cc1
InChIInChI=1S/C19H19FN2O2/c1-12-3-6-15(7-4-12)22-11-14(10-18(22)23)19(24)21-17-9-13(2)5-8-16(17)20/h3-9,14H,10-11H2,1-2H3,(H,21,24)
InChIKeyFOEGCJTWAXQWRB-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

p-Malonotoluidide
CID 95277
1-cyclohexyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2844150
3-[(4-Fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 2877115
N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 3156931
1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2883505
N-(3-benzylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072556
N-([1,1'-Biphenyl]-3-yl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072557
1-(bicyclo[2.2.1]heptan-2-yl)-5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
CID 23647179
(1S,2S)-1-(dimethylcarbamoyl)-1-(4-acetamidophenyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxopropan-2-aminium
CID 23647704
probe 2.1 [PMID: 24187130]
CID 121231409
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 771783
1-(4-Methylphenyl)-3-[(4-methylphenyl)amino]-2,5-pyrrolidinedione
CID 2927700

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 3797114) is N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3cc(C)ccc3F)CC2=O)cc1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FOEGCJTWAXQWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-12-3-6-15(7-4-12)22-11-14(10-18(22)23)19(24)21-17-9-13(2)5-8-16(17)20/h3-9,14H,10-11H2,1-2H3,(H,21,24).
What are the key properties of N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-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-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3797114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).