ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate

C13H16ClNO4 — CID 9073367

IUPACethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C13H16ClNO4/c1-3-19-13(17)7-6-12(16)15-10-8-9(14)4-5-11(10)18-2/h4-5,8H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyYNVUSHGWODNDAF-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.63
Rot. Bonds6

About ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate

ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate (PubChem CID 9073367) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
PubChem CID9073367
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Nameethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C13H16ClNO4/c1-3-19-13(17)7-6-12(16)15-10-8-9(14)4-5-11(10)18-2/h4-5,8H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyYNVUSHGWODNDAF-UHFFFAOYSA-N
XLogP2.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(5-chloro-2-methoxyanilino)-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

N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903
ethyl 4-(4-chloro-2-iodoanilino)-4-oxobutanoate
CID 113257827
ethyl 4-(4-chloro-2-methylanilino)-4-oxobutanoate
CID 60660611
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate
CID 8627342
4-chloro-2-[(4-ethoxy-4-oxobutanoyl)amino]benzoic acid
CID 43170498
pentyl 5-(5-chloro-2-methoxyanilino)-5-oxopentanoate
CID 91722639
nonyl 5-(5-chloro-2-methoxyanilino)-5-oxopentanoate
CID 91722643
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
ethyl 4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoate
CID 28538834
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133179
[2-(3-acetylanilino)-2-oxoethyl] 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 17260747

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate?
The IUPAC name of ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate (CID 9073367) is ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate.
What is the SMILES notation for ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate?
The canonical SMILES for ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate is CCOC(=O)CCC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate?
The InChIKey is YNVUSHGWODNDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-3-19-13(17)7-6-12(16)15-10-8-9(14)4-5-11(10)18-2/h4-5,8H,3,6-7H2,1-2H3,(H,15,16).
What are the key properties of ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate?
ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate has a molecular weight of 285.73 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate is sourced from PubChem (CID 9073367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).