ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate

C17H15Cl2NO4 — CID 7694682

IUPACethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate
SMILESCCOC(=O)c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2NO4/c1-2-23-17(22)12-5-3-4-6-15(12)24-10-16(21)20-11-7-8-13(18)14(19)9-11/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyCJQKFJKNSVVJSN-UHFFFAOYSA-N
MW368.22 g/mol
LogP4.19
Rot. Bonds6

About ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate

ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate (PubChem CID 7694682) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Nameethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate
PubChem CID7694682
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Nameethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate
SMILESCCOC(=O)c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2NO4/c1-2-23-17(22)12-5-3-4-6-15(12)24-10-16(21)20-11-7-8-13(18)14(19)9-11/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyCJQKFJKNSVVJSN-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-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate
CID 28564603
ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate
CID 7694825
2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid
CID 4671678
[2-(ethylamino)-2-oxoethyl] 2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]benzoate
CID 2705826
ethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate
CID 7694748
ethyl 5-[[2-(2-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoate
CID 3505157
ethyl 5-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-2-chlorobenzoate
CID 92646634
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542848
ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate
CID 99952962
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-anilinobenzoate
CID 3694895
N-(3-chloro-4-fluorophenyl)-2-(2-ethoxyphenoxy)acetamide
CID 2578584
ethyl (5S)-5-[2-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126384574

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate?
The IUPAC name of ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate (CID 7694682) is ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate is CCOC(=O)c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate?
The InChIKey is CJQKFJKNSVVJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c1-2-23-17(22)12-5-3-4-6-15(12)24-10-16(21)20-11-7-8-13(18)14(19)9-11/h3-9H,2,10H2,1H3,(H,20,21).
What are the key properties of ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate?
ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]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-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 7694682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).