1-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C21H22ClN3O4 — CID 6493079

IUPAC1-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)C1
InChIInChI=1S/C21H22ClN3O4/c1-13-3-4-15(22)10-18(13)24-19(26)12-29-17-7-5-16(6-8-17)25-11-14(9-20(25)27)21(28)23-2/h3-8,10,14H,9,11-12H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyHSOVZDDWJJTEDM-UHFFFAOYSA-N
MW415.88 g/mol
LogP2.76
Rot. Bonds6

About 1-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

1-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 6493079) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is 1-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID6493079
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC Name1-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)C1
InChIInChI=1S/C21H22ClN3O4/c1-13-3-4-15(22)10-18(13)24-19(26)12-29-17-7-5-16(6-8-17)25-11-14(9-20(25)27)21(28)23-2/h3-8,10,14H,9,11-12H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyHSOVZDDWJJTEDM-UHFFFAOYSA-N
XLogP2.76
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 6493074
[2-(5-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 29312418
(3S)-N-methyl-5-oxo-1-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]pyrrolidine-3-carboxamide
CID 7477579
(3R)-1-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 7477557
(3S)-N-[(4-chlorophenyl)methyl]-1-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 126158660
(3R)-N-benzyl-1-[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 124582438
(3S)-N-benzyl-1-[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 124582439
(3S)-1-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 7477511
[2-(5-chloro-2-methylanilino)-2-oxoethyl] (3S)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 38112813
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 126174391
[2-(2,5-dichloroanilino)-2-oxoethyl] 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 46794040
(3R)-1-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 691180

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 6493079) is 1-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CNC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)C1.
What is the InChIKey of 1-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HSOVZDDWJJTEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-13-3-4-15(22)10-18(13)24-19(26)12-29-17-7-5-16(6-8-17)25-11-14(9-20(25)27)21(28)23-2/h3-8,10,14H,9,11-12H2,1-2H3,(H,23,28)(H,24,26).
What are the key properties of 1-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
1-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 415.88 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6493079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).