[2-(5-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate

C20H25ClN2O4 — CID 9067942

IUPAC[2-(5-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C20H25ClN2O4/c1-13-7-8-15(21)10-17(13)22-18(24)12-27-20(26)14-9-19(25)23(11-14)16-5-3-2-4-6-16/h7-8,10,14,16H,2-6,9,11-12H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyHXMRAEGSXCOVSW-CQSZACIVSA-N
MW392.88 g/mol
LogP3.31
Rot. Bonds5

About [2-(5-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate

[2-(5-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 9067942) has the molecular formula C20H25ClN2O4 and a molecular weight of 392.88 g/mol. Its IUPAC name is [2-(5-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
PubChem CID9067942
Molecular FormulaC20H25ClN2O4
Molecular Weight392.88 g/mol
Exact Mass392.15
IUPAC Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C20H25ClN2O4/c1-13-7-8-15(21)10-17(13)22-18(24)12-27-20(26)14-9-19(25)23(11-14)16-5-3-2-4-6-16/h7-8,10,14,16H,2-6,9,11-12H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyHXMRAEGSXCOVSW-CQSZACIVSA-N
XLogP3.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(5-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate with MolForge

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl] (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
CID 124579992
(3S)-N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 6920596
[2-(3-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
CID 9067940
[2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2356187
[2-(5-chloro-2-methylanilino)-2-oxoethyl] (3S)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 38112813
[2-(5-chloro-2-methylanilino)-2-oxoethyl] (3S)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 124578920
[2-(5-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 29312418
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 3164250
[2-(5-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7578239
[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl] (3S)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
CID 9166154
[2-(5-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 124579886
[2-(2,4-dichloroanilino)-2-oxoethyl] (3R)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 124580328

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate (CID 9067942) is [2-(5-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-(5-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-(5-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate is Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of [2-(5-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is HXMRAEGSXCOVSW-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25ClN2O4/c1-13-7-8-15(21)10-17(13)22-18(24)12-27-20(26)14-9-19(25)23(11-14)16-5-3-2-4-6-16/h7-8,10,14,16H,2-6,9,11-12H2,1H3,(H,22,24)/t14-/m1/s1.
What are the key properties of [2-(5-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate?
[2-(5-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 392.88 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 9067942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).