methyl 4-(2,4-dichloroanilino)-4-oxobutanoate

C11H11Cl2NO3 — CID 823383

IUPACmethyl 4-(2,4-dichloroanilino)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO3/c1-17-11(16)5-4-10(15)14-9-3-2-7(12)6-8(9)13/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyYMGJBCGPNTUNSL-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.89
Rot. Bonds4

About methyl 4-(2,4-dichloroanilino)-4-oxobutanoate

methyl 4-(2,4-dichloroanilino)-4-oxobutanoate (PubChem CID 823383) has the molecular formula C11H11Cl2NO3 and a molecular weight of 276.12 g/mol. Its IUPAC name is methyl 4-(2,4-dichloroanilino)-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-(2,4-dichloroanilino)-4-oxobutanoate
PubChem CID823383
Molecular FormulaC11H11Cl2NO3
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Namemethyl 4-(2,4-dichloroanilino)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO3/c1-17-11(16)5-4-10(15)14-9-3-2-7(12)6-8(9)13/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyYMGJBCGPNTUNSL-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-(2,4-dichloroanilino)-4-oxobutanoate 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

methyl 4-(2-amino-4-chloroanilino)-4-oxobutanoate
CID 175254190
methyl N-[[4-(2,4-dichloroanilino)-4-oxobutanoyl]amino]carbamate
CID 4928103
1,3-dichloropropan-2-yl 4-(2,4-dichloroanilino)-4-oxobutanoate
CID 4667244
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
N-(2,4-dichlorophenyl)propanamide
CID 923083
N-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide
CID 4927502
5-chloro-N-(2,4-dichlorophenyl)pentanamide
CID 28727917
N,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide
CID 6610958
N-(2,4-dichlorophenyl)pent-4-enamide
CID 121218276
ethyl 4-(4-chloro-2-methylanilino)-4-oxobutanoate
CID 60660611
5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
CID 82683232
N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 884679

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,4-dichloroanilino)-4-oxobutanoate?
The IUPAC name of methyl 4-(2,4-dichloroanilino)-4-oxobutanoate (CID 823383) is methyl 4-(2,4-dichloroanilino)-4-oxobutanoate.
What is the SMILES notation for methyl 4-(2,4-dichloroanilino)-4-oxobutanoate?
The canonical SMILES for methyl 4-(2,4-dichloroanilino)-4-oxobutanoate is COC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 4-(2,4-dichloroanilino)-4-oxobutanoate?
The InChIKey is YMGJBCGPNTUNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3/c1-17-11(16)5-4-10(15)14-9-3-2-7(12)6-8(9)13/h2-3,6H,4-5H2,1H3,(H,14,15).
What are the key properties of methyl 4-(2,4-dichloroanilino)-4-oxobutanoate?
methyl 4-(2,4-dichloroanilino)-4-oxobutanoate has a molecular weight of 276.12 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,4-dichloroanilino)-4-oxobutanoate is sourced from PubChem (CID 823383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).