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

C17H15Cl2NO4 — CID 28564603

IUPACethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1Cl
InChIInChI=1S/C17H15Cl2NO4/c1-2-23-17(22)12-8-7-11(9-14(12)19)20-16(21)10-24-15-6-4-3-5-13(15)18/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyLADPENJIFCFOGB-UHFFFAOYSA-N
MW368.22 g/mol
LogP4.19
Rot. Bonds6

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

ethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate (PubChem CID 28564603) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is ethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate
PubChem CID28564603
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Nameethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1Cl
InChIInChI=1S/C17H15Cl2NO4/c1-2-23-17(22)12-8-7-11(9-14(12)19)20-16(21)10-24-15-6-4-3-5-13(15)18/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyLADPENJIFCFOGB-UHFFFAOYSA-N
XLogP4.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate
CID 7694682
ethyl 4-[[2-(4-bromophenoxy)acetyl]amino]-2-chlorobenzoate
CID 92677982
ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate
CID 99952962
ethyl 2-chloro-4-[2-(2-chlorophenoxy)propanoylamino]benzoate
CID 43886476
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-chlorophenoxy)acetamide
CID 55611272
ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate
CID 7694825
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]propanamide
CID 17027266
ethyl 5-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-2-chlorobenzoate
CID 92646634
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7856028
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
ethyl 5-[[2-(2-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 2670401
phenyl 4-[[2-(2-chlorophenoxy)acetyl]amino]-2-hydroxybenzoate
CID 19165351

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate (CID 28564603) is ethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1Cl.
What is the InChIKey of ethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate?
The InChIKey is LADPENJIFCFOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c1-2-23-17(22)12-8-7-11(9-14(12)19)20-16(21)10-24-15-6-4-3-5-13(15)18/h3-9H,2,10H2,1H3,(H,20,21).
What are the key properties of ethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate?
ethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate has a molecular weight of 368.22 g/mol, XLogP of 4.19, 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-(2-chlorophenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 28564603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).