1-(4-chlorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide

C23H26ClN3O3 — CID 55834695

IUPAC1-(4-chlorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)c(C)c1
InChIInChI=1S/C23H26ClN3O3/c1-14-9-15(2)22(16(3)10-14)25-20(28)13-26(4)23(30)17-11-21(29)27(12-17)19-7-5-18(24)6-8-19/h5-10,17H,11-13H2,1-4H3,(H,25,28)
InChIKeyJOHLFRYDDKLACF-UHFFFAOYSA-N
MW427.93 g/mol
LogP3.72
Rot. Bonds5

About 1-(4-chlorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide (PubChem CID 55834695) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
PubChem CID55834695
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name1-(4-chlorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)c(C)c1
InChIInChI=1S/C23H26ClN3O3/c1-14-9-15(2)22(16(3)10-14)25-20(28)13-26(4)23(30)17-11-21(29)27(12-17)19-7-5-18(24)6-8-19/h5-10,17H,11-13H2,1-4H3,(H,25,28)
InChIKeyJOHLFRYDDKLACF-UHFFFAOYSA-N
XLogP3.72
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
CID 55997845
N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42998707
(3R)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51869964
(3S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 8620724
(3S)-6-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9093113
N-benzyl-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 17082168
(3S)-N-[2-(4-chloroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 8617656
1-(2-bromophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46581652
1-(4-ethylphenyl)-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
CID 43009821
1-(3-chlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 17322003
4-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783986
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 55610278

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide (CID 55834695) is 1-(4-chlorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)c(C)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is JOHLFRYDDKLACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-14-9-15(2)22(16(3)10-14)25-20(28)13-26(4)23(30)17-11-21(29)27(12-17)19-7-5-18(24)6-8-19/h5-10,17H,11-13H2,1-4H3,(H,25,28).
What are the key properties of 1-(4-chlorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 427.93 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55834695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).