methyl 2-[[3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoyl]amino]acetate

C22H22ClN3O6 — CID 55849373

IUPACmethyl 2-[[3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(NC(=O)C2CC(=O)N(c3cc(Cl)ccc3OC)C2)c1
InChIInChI=1S/C22H22ClN3O6/c1-31-18-7-6-15(23)10-17(18)26-12-14(9-19(26)27)22(30)25-16-5-3-4-13(8-16)21(29)24-11-20(28)32-2/h3-8,10,14H,9,11-12H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyCMASWZHNIVXCAK-UHFFFAOYSA-N
MW459.89 g/mol
LogP2.24
Rot. Bonds7

About methyl 2-[[3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoyl]amino]acetate

methyl 2-[[3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoyl]amino]acetate (PubChem CID 55849373) has the molecular formula C22H22ClN3O6 and a molecular weight of 459.89 g/mol. Its IUPAC name is methyl 2-[[3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoyl]amino]acetate
PubChem CID55849373
Molecular FormulaC22H22ClN3O6
Molecular Weight459.89 g/mol
Exact Mass459.12
IUPAC Namemethyl 2-[[3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(NC(=O)C2CC(=O)N(c3cc(Cl)ccc3OC)C2)c1
InChIInChI=1S/C22H22ClN3O6/c1-31-18-7-6-15(23)10-17(18)26-12-14(9-19(26)27)22(30)25-16-5-3-4-13(8-16)21(29)24-11-20(28)32-2/h3-8,10,14H,9,11-12H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyCMASWZHNIVXCAK-UHFFFAOYSA-N
XLogP2.24
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.89
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoyl]amino]acetate with MolForge

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Related Compounds

N-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188478
N-(3-amino-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119419417
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004503
(3S)-1-(5-chloro-2-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 8702152
(3S)-1-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8714268
methyl 2-[[(3S)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9395060
(3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 9489350
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 17498458
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502369
1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 55597121
(3R)-N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8780130
S-[4-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529741

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoyl]amino]acetate (CID 55849373) is methyl 2-[[3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1cccc(NC(=O)C2CC(=O)N(c3cc(Cl)ccc3OC)C2)c1.
What is the InChIKey of methyl 2-[[3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoyl]amino]acetate?
The InChIKey is CMASWZHNIVXCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O6/c1-31-18-7-6-15(23)10-17(18)26-12-14(9-19(26)27)22(30)25-16-5-3-4-13(8-16)21(29)24-11-20(28)32-2/h3-8,10,14H,9,11-12H2,1-2H3,(H,24,29)(H,25,30).
What are the key properties of methyl 2-[[3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoyl]amino]acetate?
methyl 2-[[3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoyl]amino]acetate has a molecular weight of 459.89 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoyl]amino]acetate is sourced from PubChem (CID 55849373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).