ethyl 4-acetyl-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate

C21H21ClN2O6 — CID 21230126

IUPACethyl 4-acetyl-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)oc(C)c1C(C)=O
InChIInChI=1S/C21H21ClN2O6/c1-4-29-21(28)18-17(11(2)25)12(3)30-20(18)23-19(27)13-9-16(26)24(10-13)15-7-5-14(22)6-8-15/h5-8,13H,4,9-10H2,1-3H3,(H,23,27)
InChIKeyVOZFWPSVYCVQCG-UHFFFAOYSA-N
MW432.86 g/mol
LogP3.61
Rot. Bonds6

About ethyl 4-acetyl-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate

ethyl 4-acetyl-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate (PubChem CID 21230126) has the molecular formula C21H21ClN2O6 and a molecular weight of 432.86 g/mol. Its IUPAC name is ethyl 4-acetyl-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate
PubChem CID21230126
Molecular FormulaC21H21ClN2O6
Molecular Weight432.86 g/mol
Exact Mass432.11
IUPAC Nameethyl 4-acetyl-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)oc(C)c1C(C)=O
InChIInChI=1S/C21H21ClN2O6/c1-4-29-21(28)18-17(11(2)25)12(3)30-20(18)23-19(27)13-9-16(26)24(10-13)15-7-5-14(22)6-8-15/h5-8,13H,4,9-10H2,1-3H3,(H,23,27)
InChIKeyVOZFWPSVYCVQCG-UHFFFAOYSA-N
XLogP3.61
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.86
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-acetyl-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate with MolForge

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Related Compounds

diethyl 2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3,4-dicarboxylate
CID 108800125
ethyl 4-acetyl-5-methyl-2-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]furan-3-carboxylate
CID 17308546
ethyl 4-acetyl-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate
CID 108801257
diethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762179
1-(4-chlorophenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108800108
ethyl 4-[[1-(4-acetylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113188983
ethyl 3-[4-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]prop-2-enoate
CID 55871580
(3R)-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084233
ethyl 2-[[1-(4-acetylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113188992
(3S)-N-(4-acetylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7375127
(3S)-1-(4-chlorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 805632
N-(4-acetylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3114278

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate (CID 21230126) is ethyl 4-acetyl-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate is CCOC(=O)c1c(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)oc(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate?
The InChIKey is VOZFWPSVYCVQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O6/c1-4-29-21(28)18-17(11(2)25)12(3)30-20(18)23-19(27)13-9-16(26)24(10-13)15-7-5-14(22)6-8-15/h5-8,13H,4,9-10H2,1-3H3,(H,23,27).
What are the key properties of ethyl 4-acetyl-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate?
ethyl 4-acetyl-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate has a molecular weight of 432.86 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate is sourced from PubChem (CID 21230126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).