[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate

C20H19ClN2O4 — CID 9131031

IUPAC[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESCc1ccc(NC(=O)COC(=O)c2ccccc2N2CCCC2=O)c(Cl)c1
InChIInChI=1S/C20H19ClN2O4/c1-13-8-9-16(15(21)11-13)22-18(24)12-27-20(26)14-5-2-3-6-17(14)23-10-4-7-19(23)25/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,22,24)
InChIKeyJBXLWSIBEGUKPS-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.57
Rot. Bonds5

About [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 9131031) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID9131031
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESCc1ccc(NC(=O)COC(=O)c2ccccc2N2CCCC2=O)c(Cl)c1
InChIInChI=1S/C20H19ClN2O4/c1-13-8-9-16(15(21)11-13)22-18(24)12-27-20(26)14-5-2-3-6-17(14)23-10-4-7-19(23)25/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,22,24)
InChIKeyJBXLWSIBEGUKPS-UHFFFAOYSA-N
XLogP3.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131156
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131092
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132983
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132614
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-chloropyridine-3-carboxylate
CID 41175485
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 46669929
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate
CID 55467953
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133426
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 7758284
(3-methylphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133484
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133179
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131651

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate (CID 9131031) is [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate is Cc1ccc(NC(=O)COC(=O)c2ccccc2N2CCCC2=O)c(Cl)c1.
What is the InChIKey of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is JBXLWSIBEGUKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-13-8-9-16(15(21)11-13)22-18(24)12-27-20(26)14-5-2-3-6-17(14)23-10-4-7-19(23)25/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,22,24).
What are the key properties of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate?
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 386.84 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 9131031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).