1-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C23H25Cl2N3O4 — CID 23819271

IUPAC1-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1
InChIInChI=1S/C23H25Cl2N3O4/c1-14(2)11-26-23(31)15-9-22(30)28(12-15)17-4-6-18(7-5-17)32-13-21(29)27-16-3-8-19(24)20(25)10-16/h3-8,10,14-15H,9,11-13H2,1-2H3,(H,26,31)(H,27,29)
InChIKeyFWYYYOQSOJNYEW-UHFFFAOYSA-N
MW478.38 g/mol
LogP4.14
Rot. Bonds8

About 1-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

1-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 23819271) has the molecular formula C23H25Cl2N3O4 and a molecular weight of 478.38 g/mol. Its IUPAC name is 1-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID23819271
Molecular FormulaC23H25Cl2N3O4
Molecular Weight478.38 g/mol
Exact Mass477.12
IUPAC Name1-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1
InChIInChI=1S/C23H25Cl2N3O4/c1-14(2)11-26-23(31)15-9-22(30)28(12-15)17-4-6-18(7-5-17)32-13-21(29)27-16-3-8-19(24)20(25)10-16/h3-8,10,14-15H,9,11-13H2,1-2H3,(H,26,31)(H,27,29)
InChIKeyFWYYYOQSOJNYEW-UHFFFAOYSA-N
XLogP4.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.38
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 124603409
(3S)-1-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 42562427
(3R)-1-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 8007901
(3R)-N-benzyl-1-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40977674
(3S)-1-[4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 124631458
(3R)-N-(2-methylpropyl)-5-oxo-1-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]pyrrolidine-3-carboxamide
CID 124631374
(3S)-1-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 126169372
1-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 6493074
(3R)-1-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 126129408
(3R)-N-benzyl-1-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 126170146
(3R)-1-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]phenyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 126160823
(3S)-1-(4-chlorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 774264

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 23819271) is 1-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CNC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1.
What is the InChIKey of 1-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FWYYYOQSOJNYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O4/c1-14(2)11-26-23(31)15-9-22(30)28(12-15)17-4-6-18(7-5-17)32-13-21(29)27-16-3-8-19(24)20(25)10-16/h3-8,10,14-15H,9,11-13H2,1-2H3,(H,26,31)(H,27,29).
What are the key properties of 1-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
1-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 478.38 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 23819271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).