ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate

C18H17Cl2NO4 — CID 99952962

IUPACethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1Cl
InChIInChI=1S/C18H17Cl2NO4/c1-3-24-18(23)14-6-4-12(9-16(14)20)21-17(22)10-25-13-5-7-15(19)11(2)8-13/h4-9H,3,10H2,1-2H3,(H,21,22)
InChIKeyCGJKCILMPDUSCQ-UHFFFAOYSA-N
MW382.24 g/mol
LogP4.50
Rot. Bonds6

About ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate

ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate (PubChem CID 99952962) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate
PubChem CID99952962
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Nameethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1Cl
InChIInChI=1S/C18H17Cl2NO4/c1-3-24-18(23)14-6-4-12(9-16(14)20)21-17(22)10-25-13-5-7-15(19)11(2)8-13/h4-9H,3,10H2,1-2H3,(H,21,22)
InChIKeyCGJKCILMPDUSCQ-UHFFFAOYSA-N
XLogP4.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate with MolForge

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Related Compounds

ethyl 4-[[2-(4-bromophenoxy)acetyl]amino]-2-chlorobenzoate
CID 92677982
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196
ethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate
CID 28564603
2-(4-chloro-3-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4942951
2-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9140969
2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 2892979
ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate
CID 7694682
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273717
2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 18076736
2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide
CID 1343394
[2-(3-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273522

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate (CID 99952962) is ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1Cl.
What is the InChIKey of ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate?
The InChIKey is CGJKCILMPDUSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c1-3-24-18(23)14-6-4-12(9-16(14)20)21-17(22)10-25-13-5-7-15(19)11(2)8-13/h4-9H,3,10H2,1-2H3,(H,21,22).
What are the key properties of ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate?
ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate has a molecular weight of 382.24 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 99952962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).