[2-(2,5-dichloroanilino)-2-oxoethyl] 4-oxopentanoate

C13H13Cl2NO4 — CID 8625714

IUPAC[2-(2,5-dichloroanilino)-2-oxoethyl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H13Cl2NO4/c1-8(17)2-5-13(19)20-7-12(18)16-11-6-9(14)3-4-10(11)15/h3-4,6H,2,5,7H2,1H3,(H,16,18)
InChIKeyLKOQMOOAHSJVBA-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.84
Rot. Bonds6

About [2-(2,5-dichloroanilino)-2-oxoethyl] 4-oxopentanoate

[2-(2,5-dichloroanilino)-2-oxoethyl] 4-oxopentanoate (PubChem CID 8625714) has the molecular formula C13H13Cl2NO4 and a molecular weight of 318.16 g/mol. Its IUPAC name is [2-(2,5-dichloroanilino)-2-oxoethyl] 4-oxopentanoate.

Molecular Properties

Compound Name[2-(2,5-dichloroanilino)-2-oxoethyl] 4-oxopentanoate
PubChem CID8625714
Molecular FormulaC13H13Cl2NO4
Molecular Weight318.16 g/mol
Exact Mass317.02
IUPAC Name[2-(2,5-dichloroanilino)-2-oxoethyl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H13Cl2NO4/c1-8(17)2-5-13(19)20-7-12(18)16-11-6-9(14)3-4-10(11)15/h3-4,6H,2,5,7H2,1H3,(H,16,18)
InChIKeyLKOQMOOAHSJVBA-UHFFFAOYSA-N
XLogP2.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,5-dichloroanilino)-2-oxoethyl] 4-oxopentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate
CID 8627342
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8946515
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-[4-(4-tert-butylphenoxy)anilino]-4-oxobutanoate
CID 17258860
[2-(2,5-dichloroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731134
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854137
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7729248
[2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 8020275
2-phenylethyl 4-(2,5-dichloroanilino)-4-oxobutanoate
CID 4946830
[2-(2,5-dichloroanilino)-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2363515
[2-(2,5-dichloroanilino)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2363516
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate
CID 17257992
3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 55103947

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] 4-oxopentanoate?
The IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] 4-oxopentanoate (CID 8625714) is [2-(2,5-dichloroanilino)-2-oxoethyl] 4-oxopentanoate.
What is the SMILES notation for [2-(2,5-dichloroanilino)-2-oxoethyl] 4-oxopentanoate?
The canonical SMILES for [2-(2,5-dichloroanilino)-2-oxoethyl] 4-oxopentanoate is CC(=O)CCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(2,5-dichloroanilino)-2-oxoethyl] 4-oxopentanoate?
The InChIKey is LKOQMOOAHSJVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO4/c1-8(17)2-5-13(19)20-7-12(18)16-11-6-9(14)3-4-10(11)15/h3-4,6H,2,5,7H2,1H3,(H,16,18).
What are the key properties of [2-(2,5-dichloroanilino)-2-oxoethyl] 4-oxopentanoate?
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-oxopentanoate has a molecular weight of 318.16 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichloroanilino)-2-oxoethyl] 4-oxopentanoate is sourced from PubChem (CID 8625714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).