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

C17H15Cl2NO5 — CID 2665383

IUPAC[2-(4-chloroanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OC
InChIInChI=1S/C17H15Cl2NO5/c1-23-14-8-10(7-13(19)16(14)24-2)17(22)25-9-15(21)20-12-5-3-11(18)4-6-12/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyBHEZBNSSZKGFNS-UHFFFAOYSA-N
MW384.22 g/mol
LogP3.81
Rot. Bonds6

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

[2-(4-chloroanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate (PubChem CID 2665383) has the molecular formula C17H15Cl2NO5 and a molecular weight of 384.22 g/mol. Its IUPAC name is [2-(4-chloroanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(4-chloroanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
PubChem CID2665383
Molecular FormulaC17H15Cl2NO5
Molecular Weight384.22 g/mol
Exact Mass383.03
IUPAC Name[2-(4-chloroanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OC
InChIInChI=1S/C17H15Cl2NO5/c1-23-14-8-10(7-13(19)16(14)24-2)17(22)25-9-15(21)20-12-5-3-11(18)4-6-12/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyBHEZBNSSZKGFNS-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

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681395
[2-(4-carbamoylanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2499683
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-chloro-4,5-dimethoxybenzoate
CID 41229452
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 16513388
[2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654549
[2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654496
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253828
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 16513385
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681361
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 9201449
[2-(4-cyanoanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 7684145
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3,4,5-trimethoxybenzoate
CID 8013526

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate?
The IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate (CID 2665383) is [2-(4-chloroanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate.
What is the SMILES notation for [2-(4-chloroanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate?
The canonical SMILES for [2-(4-chloroanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate is COc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OC.
What is the InChIKey of [2-(4-chloroanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate?
The InChIKey is BHEZBNSSZKGFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO5/c1-23-14-8-10(7-13(19)16(14)24-2)17(22)25-9-15(21)20-12-5-3-11(18)4-6-12/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of [2-(4-chloroanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate?
[2-(4-chloroanilino)-2-oxoethyl] 3-chloro-4,5-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-(4-chloroanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate is sourced from PubChem (CID 2665383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).