[2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate

C20H21Cl2NO5 — CID 29316134

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1OCC
InChIInChI=1S/C20H21Cl2NO5/c1-3-10-27-16-9-8-13(11-17(16)26-4-2)20(25)28-12-18(24)23-15-7-5-6-14(21)19(15)22/h5-9,11H,3-4,10,12H2,1-2H3,(H,23,24)
InChIKeyLNZJIJUVCOUBEF-UHFFFAOYSA-N
MW426.30 g/mol
LogP4.98
Rot. Bonds9

About [2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate

[2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate (PubChem CID 29316134) has the molecular formula C20H21Cl2NO5 and a molecular weight of 426.30 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
PubChem CID29316134
Molecular FormulaC20H21Cl2NO5
Molecular Weight426.30 g/mol
Exact Mass425.08
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1OCC
InChIInChI=1S/C20H21Cl2NO5/c1-3-10-27-16-9-8-13(11-17(16)26-4-2)20(25)28-12-18(24)23-15-7-5-6-14(21)19(15)22/h5-9,11H,3-4,10,12H2,1-2H3,(H,23,24)
InChIKeyLNZJIJUVCOUBEF-UHFFFAOYSA-N
XLogP4.98
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.30
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-butoxy-3-ethoxybenzoate
CID 7904220
[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 30388748
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211911
[2-(2,6-dichloroanilino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 7381928
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 7556805
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate
CID 8015070
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 8885391
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 42971508
[2-(3,5-difluoroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 42371527
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-butoxy-3-ethoxybenzoate
CID 29242975
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 8572691
[1-(2-chloroanilino)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 43014845

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate (CID 29316134) is [2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate is CCCOc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1OCC.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
The InChIKey is LNZJIJUVCOUBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO5/c1-3-10-27-16-9-8-13(11-17(16)26-4-2)20(25)28-12-18(24)23-15-7-5-6-14(21)19(15)22/h5-9,11H,3-4,10,12H2,1-2H3,(H,23,24).
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
[2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate has a molecular weight of 426.30 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate is sourced from PubChem (CID 29316134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).