[2-(3,5-dichloroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate

C17H15Cl2NO5 — CID 1191663

IUPAC[2-(3,5-dichloroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC
InChIInChI=1S/C17H15Cl2NO5/c1-23-14-4-3-10(5-15(14)24-2)17(22)25-9-16(21)20-13-7-11(18)6-12(19)8-13/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyFYCVURUIBPTEFY-UHFFFAOYSA-N
MW384.22 g/mol
LogP3.81
Rot. Bonds6

About [2-(3,5-dichloroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate

[2-(3,5-dichloroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate (PubChem CID 1191663) has the molecular formula C17H15Cl2NO5 and a molecular weight of 384.22 g/mol. Its IUPAC name is [2-(3,5-dichloroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(3,5-dichloroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
PubChem CID1191663
Molecular FormulaC17H15Cl2NO5
Molecular Weight384.22 g/mol
Exact Mass383.03
IUPAC Name[2-(3,5-dichloroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC
InChIInChI=1S/C17H15Cl2NO5/c1-23-14-4-3-10(5-15(14)24-2)17(22)25-9-16(21)20-13-7-11(18)6-12(19)8-13/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyFYCVURUIBPTEFY-UHFFFAOYSA-N
XLogP3.81
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(3,5-dichloroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate with MolForge

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Related Compounds

4-O-[2-(3,5-dichloroanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296675
[2-(3,5-dichloroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7235662
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate
CID 46859616
[2-(3-chloroanilino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 2600330
[2-(4-chloroanilino)-2-oxoethyl] 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 25439557
dimethyl 5-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate
CID 29458941
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501312
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 3,4-dimethoxybenzoate
CID 2349931
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 3482890
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-ethylbenzoate
CID 2607173
[2-(4-acetylanilino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 3279488
[2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558714

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichloroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate?
The IUPAC name of [2-(3,5-dichloroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate (CID 1191663) is [2-(3,5-dichloroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate.
What is the SMILES notation for [2-(3,5-dichloroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate?
The canonical SMILES for [2-(3,5-dichloroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate is COc1ccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC.
What is the InChIKey of [2-(3,5-dichloroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate?
The InChIKey is FYCVURUIBPTEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO5/c1-23-14-4-3-10(5-15(14)24-2)17(22)25-9-16(21)20-13-7-11(18)6-12(19)8-13/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of [2-(3,5-dichloroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate?
[2-(3,5-dichloroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate has a molecular weight of 384.22 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichloroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate is sourced from PubChem (CID 1191663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).