[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate

C18H15Cl2NO5 — CID 3395817

IUPAC[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H15Cl2NO5/c1-2-25-17(23)11-6-3-4-9-14(11)21-15(22)10-26-18(24)16-12(19)7-5-8-13(16)20/h3-9H,2,10H2,1H3,(H,21,22)
InChIKeyJUJWLICMBNHUGW-UHFFFAOYSA-N
MW396.23 g/mol
LogP3.97
Rot. Bonds6

About [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate

[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate (PubChem CID 3395817) has the molecular formula C18H15Cl2NO5 and a molecular weight of 396.23 g/mol. Its IUPAC name is [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate.

Molecular Properties

Compound Name[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
PubChem CID3395817
Molecular FormulaC18H15Cl2NO5
Molecular Weight396.23 g/mol
Exact Mass395.03
IUPAC Name[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H15Cl2NO5/c1-2-25-17(23)11-6-3-4-9-14(11)21-15(22)10-26-18(24)16-12(19)7-5-8-13(16)20/h3-9H,2,10H2,1H3,(H,21,22)
InChIKeyJUJWLICMBNHUGW-UHFFFAOYSA-N
XLogP3.97
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2501220
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620033
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
ethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 110428348
[2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2356595
[2-(2-bromoanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2396477
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 2425038
ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate
CID 2394461
ethyl 2-[(2-chlorobenzenecarbothioyl)amino]benzoate
CID 170842399
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7485087
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2425256
ethyl 2-(propanoylamino)benzoate
CID 4190428

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
The IUPAC name of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate (CID 3395817) is [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate.
What is the SMILES notation for [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
The canonical SMILES for [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate is CCOC(=O)c1ccccc1NC(=O)COC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
The InChIKey is JUJWLICMBNHUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO5/c1-2-25-17(23)11-6-3-4-9-14(11)21-15(22)10-26-18(24)16-12(19)7-5-8-13(16)20/h3-9H,2,10H2,1H3,(H,21,22).
What are the key properties of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate has a molecular weight of 396.23 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate is sourced from PubChem (CID 3395817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).