[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-[(2,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate

C21H18Cl2N2O6 — CID 40878026

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-[(2,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C21H18Cl2N2O6/c1-30-15-5-2-12(3-6-15)18(26)11-31-21(29)13-8-19(27)25(10-13)24-20(28)16-7-4-14(22)9-17(16)23/h2-7,9,13H,8,10-11H2,1H3,(H,24,28)/t13-/m0/s1
InChIKeyOCNBQFBBARVGAP-ZDUSSCGKSA-N
MW465.29 g/mol
LogP2.92
Rot. Bonds7

About [2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-[(2,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate

[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-[(2,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate (PubChem CID 40878026) has the molecular formula C21H18Cl2N2O6 and a molecular weight of 465.29 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-[(2,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-[(2,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
PubChem CID40878026
Molecular FormulaC21H18Cl2N2O6
Molecular Weight465.29 g/mol
Exact Mass464.05
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-[(2,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C21H18Cl2N2O6/c1-30-15-5-2-12(3-6-15)18(26)11-31-21(29)13-8-19(27)25(10-13)24-20(28)16-7-4-14(22)9-17(16)23/h2-7,9,13H,8,10-11H2,1H3,(H,24,28)/t13-/m0/s1
InChIKeyOCNBQFBBARVGAP-ZDUSSCGKSA-N
XLogP2.92
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-[(2,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate with MolForge

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Related Compounds

[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-[(2-chlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 41137284
[2-(4-nitrophenyl)-2-oxoethyl] (3R)-1-[(2,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 40878032
[2-(4-chlorophenyl)-2-oxoethyl] (3R)-1-[(4-chlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 40878074
[2-(5-methoxy-2-nitroanilino)-2-oxoethyl] (3R)-1-[(2,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 124579234
[2-(4-ethoxyanilino)-2-oxoethyl] (3S)-1-[(2,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 124579358
[2-(2,6-diethylanilino)-2-oxoethyl] (3R)-1-[(2,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 124579787
[2-[4-(2,4-dichlorobenzoyl)oxyphenyl]-2-oxoethyl] (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 98106779
[2-(4-fluoroanilino)-2-oxoethyl] (3R)-1-[(2,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 124580586
[2-(4-methylphenyl)-2-oxoethyl] (3R)-1-[(4-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 7281773
phenacyl 1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 4272230
[2-(3-methoxyphenyl)-2-oxoethyl] 1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 3821447
[2-(5-methoxy-2-nitroanilino)-2-oxoethyl] (3S)-1-[(2-chlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 124579897

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-[(2,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-[(2,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate (CID 40878026) is [2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-[(2,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-[(2,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-[(2,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate is COc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-[(2,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is OCNBQFBBARVGAP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H18Cl2N2O6/c1-30-15-5-2-12(3-6-15)18(26)11-31-21(29)13-8-19(27)25(10-13)24-20(28)16-7-4-14(22)9-17(16)23/h2-7,9,13H,8,10-11H2,1H3,(H,24,28)/t13-/m0/s1.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-[(2,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-[(2,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 465.29 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-[(2,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 40878026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).