[2-(2,6-dichloroanilino)-2-oxoethyl] 3,4-diethoxybenzoate

C19H19Cl2NO5 — CID 7381928

IUPAC[2-(2,6-dichloroanilino)-2-oxoethyl] 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)cc1OCC
InChIInChI=1S/C19H19Cl2NO5/c1-3-25-15-9-8-12(10-16(15)26-4-2)19(24)27-11-17(23)22-18-13(20)6-5-7-14(18)21/h5-10H,3-4,11H2,1-2H3,(H,22,23)
InChIKeyPWDFRRUIBJZBLM-UHFFFAOYSA-N
MW412.27 g/mol
LogP4.59
Rot. Bonds8

About [2-(2,6-dichloroanilino)-2-oxoethyl] 3,4-diethoxybenzoate

[2-(2,6-dichloroanilino)-2-oxoethyl] 3,4-diethoxybenzoate (PubChem CID 7381928) has the molecular formula C19H19Cl2NO5 and a molecular weight of 412.27 g/mol. Its IUPAC name is [2-(2,6-dichloroanilino)-2-oxoethyl] 3,4-diethoxybenzoate.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)-2-oxoethyl] 3,4-diethoxybenzoate
PubChem CID7381928
Molecular FormulaC19H19Cl2NO5
Molecular Weight412.27 g/mol
Exact Mass411.06
IUPAC Name[2-(2,6-dichloroanilino)-2-oxoethyl] 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)cc1OCC
InChIInChI=1S/C19H19Cl2NO5/c1-3-25-15-9-8-12(10-16(15)26-4-2)19(24)27-11-17(23)22-18-13(20)6-5-7-14(18)21/h5-10H,3-4,11H2,1-2H3,(H,22,23)
InChIKeyPWDFRRUIBJZBLM-UHFFFAOYSA-N
XLogP4.59
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 29316134
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-butoxy-3-ethoxybenzoate
CID 7904220
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 7556805
[2-(3-acetylanilino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561869
[2-(2,6-dichloroanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677317
[2-(2,4-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903793
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2359410
[2-(3,4-diethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7698271
[2-(3-acetamidoanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7416051
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903768
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7811999
[2-(2,6-dichloroanilino)-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 41121049

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 3,4-diethoxybenzoate?
The IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 3,4-diethoxybenzoate (CID 7381928) is [2-(2,6-dichloroanilino)-2-oxoethyl] 3,4-diethoxybenzoate.
What is the SMILES notation for [2-(2,6-dichloroanilino)-2-oxoethyl] 3,4-diethoxybenzoate?
The canonical SMILES for [2-(2,6-dichloroanilino)-2-oxoethyl] 3,4-diethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)cc1OCC.
What is the InChIKey of [2-(2,6-dichloroanilino)-2-oxoethyl] 3,4-diethoxybenzoate?
The InChIKey is PWDFRRUIBJZBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO5/c1-3-25-15-9-8-12(10-16(15)26-4-2)19(24)27-11-17(23)22-18-13(20)6-5-7-14(18)21/h5-10H,3-4,11H2,1-2H3,(H,22,23).
What are the key properties of [2-(2,6-dichloroanilino)-2-oxoethyl] 3,4-diethoxybenzoate?
[2-(2,6-dichloroanilino)-2-oxoethyl] 3,4-diethoxybenzoate has a molecular weight of 412.27 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloroanilino)-2-oxoethyl] 3,4-diethoxybenzoate is sourced from PubChem (CID 7381928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).