ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate

C12H16ClNO4 — CID 28576135

IUPACethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate
SMILESCCOC(=O)CNc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C12H16ClNO4/c1-4-18-12(15)7-14-9-5-8(13)10(16-2)6-11(9)17-3/h5-6,14H,4,7H2,1-3H3
InChIKeyKWMBDJXLTVGVNR-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.33
Rot. Bonds6

About ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate

ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate (PubChem CID 28576135) has the molecular formula C12H16ClNO4 and a molecular weight of 273.72 g/mol. Its IUPAC name is ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate
PubChem CID28576135
Molecular FormulaC12H16ClNO4
Molecular Weight273.72 g/mol
Exact Mass273.08
IUPAC Nameethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate
SMILESCCOC(=O)CNc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C12H16ClNO4/c1-4-18-12(15)7-14-9-5-8(13)10(16-2)6-11(9)17-3/h5-6,14H,4,7H2,1-3H3
InChIKeyKWMBDJXLTVGVNR-UHFFFAOYSA-N
XLogP2.33
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2,4-dimethoxyanilino)acetamide
CID 28576076
ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate
CID 103233182
ethyl 2-(2,5-dimethoxyanilino)acetate
CID 28576005
methyl 4-(5-chloro-2,4-dimethoxyanilino)butanoate
CID 43377856
N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 28572784
ethyl 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]butanoate
CID 3289741
methyl 3-(5-chloro-2,4-dimethoxyanilino)-2,2-dimethylpropanoate
CID 79629813
methyl 3-(5-chloro-2,4-dimethoxyanilino)-2-hydroxy-2-methylpropanoate
CID 104643699
methyl 3-(5-chloro-2,4-dimethoxyanilino)-2-methylpropanoate
CID 43538463
ethyl 2-(2-chloro-5-methylanilino)acetate
CID 103768009
ethyl 2-(2,4,5-trimethylanilino)acetate
CID 115257207
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate?
The IUPAC name of ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate (CID 28576135) is ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate.
What is the SMILES notation for ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate?
The canonical SMILES for ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate is CCOC(=O)CNc1cc(Cl)c(OC)cc1OC.
What is the InChIKey of ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate?
The InChIKey is KWMBDJXLTVGVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4/c1-4-18-12(15)7-14-9-5-8(13)10(16-2)6-11(9)17-3/h5-6,14H,4,7H2,1-3H3.
What are the key properties of ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate?
ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate has a molecular weight of 273.72 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate is sourced from PubChem (CID 28576135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).