[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2,5-dichlorobenzoate

C18H17Cl2NO4 — CID 55417484

IUPAC[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2,5-dichlorobenzoate
SMILESCCOc1ccc(NC(=O)C(C)OC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO4/c1-3-24-14-7-5-13(6-8-14)21-17(22)11(2)25-18(23)15-10-12(19)4-9-16(15)20/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyUKSLSWCXYQKRFT-UHFFFAOYSA-N
MW382.24 g/mol
LogP4.58
Rot. Bonds6

About [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2,5-dichlorobenzoate

[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2,5-dichlorobenzoate (PubChem CID 55417484) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2,5-dichlorobenzoate.

Molecular Properties

Compound Name[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2,5-dichlorobenzoate
PubChem CID55417484
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Name[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2,5-dichlorobenzoate
SMILESCCOc1ccc(NC(=O)C(C)OC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO4/c1-3-24-14-7-5-13(6-8-14)21-17(22)11(2)25-18(23)15-10-12(19)4-9-16(15)20/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyUKSLSWCXYQKRFT-UHFFFAOYSA-N
XLogP4.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 4-chloro-2-hydroxybenzoate
CID 8888809
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751650
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate
CID 8620465
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-chloro-4,5-difluorobenzoate
CID 2565873
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 4-chloro-3-sulfamoylbenzoate
CID 43014283
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 7235578
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-methoxy-5-methylbenzoate
CID 9000063
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616935
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-methylsulfanylbenzoate
CID 8735714
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-methylsulfanylbenzoate
CID 8735716
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
CID 2497861
[(2S)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2,5-dichlorobenzoate
CID 7723232

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2,5-dichlorobenzoate?
The IUPAC name of [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2,5-dichlorobenzoate (CID 55417484) is [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2,5-dichlorobenzoate.
What is the SMILES notation for [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2,5-dichlorobenzoate?
The canonical SMILES for [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2,5-dichlorobenzoate is CCOc1ccc(NC(=O)C(C)OC(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2,5-dichlorobenzoate?
The InChIKey is UKSLSWCXYQKRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c1-3-24-14-7-5-13(6-8-14)21-17(22)11(2)25-18(23)15-10-12(19)4-9-16(15)20/h4-11H,3H2,1-2H3,(H,21,22).
What are the key properties of [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2,5-dichlorobenzoate?
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2,5-dichlorobenzoate has a molecular weight of 382.24 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2,5-dichlorobenzoate is sourced from PubChem (CID 55417484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).