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

C18H17Cl2NO4 — CID 7211911

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C18H17Cl2NO4/c1-2-10-24-13-8-6-12(7-9-13)18(23)25-11-16(22)21-15-5-3-4-14(19)17(15)20/h3-9H,2,10-11H2,1H3,(H,21,22)
InChIKeyOIDIMTYKTYTHLO-UHFFFAOYSA-N
MW382.24 g/mol
LogP4.58
Rot. Bonds7

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

[2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate (PubChem CID 7211911) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate
PubChem CID7211911
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C18H17Cl2NO4/c1-2-10-24-13-8-6-12(7-9-13)18(23)25-11-16(22)21-15-5-3-4-14(19)17(15)20/h3-9H,2,10-11H2,1H3,(H,21,22)
InChIKeyOIDIMTYKTYTHLO-UHFFFAOYSA-N
XLogP4.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate
CID 8015070
[2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 29316134
methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
CID 7211925
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7939503
ethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
CID 7211927
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-butoxybenzoate
CID 2585299
N-(2,3-dichlorophenyl)-2-[4-(2-ethoxyethoxy)phenoxy]acetamide
CID 4732993
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 46793982
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2603661
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-butoxybenzoate
CID 8863539
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 4-propoxybenzoate
CID 7211967

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate (CID 7211911) is [2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate is CCCOc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate?
The InChIKey is OIDIMTYKTYTHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c1-2-10-24-13-8-6-12(7-9-13)18(23)25-11-16(22)21-15-5-3-4-14(19)17(15)20/h3-9H,2,10-11H2,1H3,(H,21,22).
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate?
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate has a molecular weight of 382.24 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate is sourced from PubChem (CID 7211911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).