1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide

C24H22N2O3 — CID 84916478

IUPAC1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccccc1N1CC(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O
InChIInChI=1S/C24H22N2O3/c1-17-7-5-6-10-22(17)26-16-18(15-23(26)27)24(28)25-19-11-13-21(14-12-19)29-20-8-3-2-4-9-20/h2-14,18H,15-16H2,1H3,(H,25,28)
InChIKeyCEOFFHSNPVYPEW-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.78
Rot. Bonds5

About 1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide

1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 84916478) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID84916478
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccccc1N1CC(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O
InChIInChI=1S/C24H22N2O3/c1-17-7-5-6-10-22(17)26-16-18(15-23(26)27)24(28)25-19-11-13-21(14-12-19)29-20-8-3-2-4-9-20/h2-14,18H,15-16H2,1H3,(H,25,28)
InChIKeyCEOFFHSNPVYPEW-UHFFFAOYSA-N
XLogP4.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090575
(3S)-1-(2-methylphenyl)-5-oxo-N-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 124529053
(3R)-1-(2,3-dimethylphenyl)-N-[4-(3-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 7925003
N-(3-methoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18885956
(3S)-N-(3,4-dimethylphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 719074
(3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40666345
1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113185955
(3R)-1-(2,6-dimethylphenyl)-N-[4-(3-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 9056452
3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9056299
1-naphthalen-2-yl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 22051484
N-(3-chloro-4-methoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185946
(3R)-1-(2,3-dimethylphenyl)-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8745509

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide (CID 84916478) is 1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide is Cc1ccccc1N1CC(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O.
What is the InChIKey of 1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is CEOFFHSNPVYPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-17-7-5-6-10-22(17)26-16-18(15-23(26)27)24(28)25-19-11-13-21(14-12-19)29-20-8-3-2-4-9-20/h2-14,18H,15-16H2,1H3,(H,25,28).
What are the key properties of 1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 84916478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).