[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate

C19H16Cl2N2O4 — CID 9131092

IUPAC[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(COC(=O)c1ccccc1N1CCCC1=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H16Cl2N2O4/c20-14-8-7-12(10-15(14)21)22-17(24)11-27-19(26)13-4-1-2-5-16(13)23-9-3-6-18(23)25/h1-2,4-5,7-8,10H,3,6,9,11H2,(H,22,24)
InChIKeyDLBGBFXEUBLNGM-UHFFFAOYSA-N
MW407.25 g/mol
LogP3.92
Rot. Bonds5

About [2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate

[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 9131092) has the molecular formula C19H16Cl2N2O4 and a molecular weight of 407.25 g/mol. Its IUPAC name is [2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID9131092
Molecular FormulaC19H16Cl2N2O4
Molecular Weight407.25 g/mol
Exact Mass406.05
IUPAC Name[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(COC(=O)c1ccccc1N1CCCC1=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H16Cl2N2O4/c20-14-8-7-12(10-15(14)21)22-17(24)11-27-19(26)13-4-1-2-5-16(13)23-9-3-6-18(23)25/h1-2,4-5,7-8,10H,3,6,9,11H2,(H,22,24)
InChIKeyDLBGBFXEUBLNGM-UHFFFAOYSA-N
XLogP3.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132614
[2-(4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131156
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133179
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131031
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131651
[2-(3-nitroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131387
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-chloropyridine-3-carboxylate
CID 41175485
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133426
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9134507
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131293
phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131445
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-chloro-2-(2-oxopyrrolidin-1-yl)benzoate
CID 32553124

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate (CID 9131092) is [2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate is O=C(COC(=O)c1ccccc1N1CCCC1=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is DLBGBFXEUBLNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O4/c20-14-8-7-12(10-15(14)21)22-17(24)11-27-19(26)13-4-1-2-5-16(13)23-9-3-6-18(23)25/h1-2,4-5,7-8,10H,3,6,9,11H2,(H,22,24).
What are the key properties of [2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate?
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 407.25 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 9131092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).