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

C18H18ClNO6 — CID 7681395

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H18ClNO6/c1-23-13-6-4-12(5-7-13)20-16(21)10-26-18(22)11-8-14(19)17(25-3)15(9-11)24-2/h4-9H,10H2,1-3H3,(H,20,21)
InChIKeyBQYKXAXPPCWTLF-UHFFFAOYSA-N
MW379.80 g/mol
LogP3.16
Rot. Bonds7

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

[2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate (PubChem CID 7681395) has the molecular formula C18H18ClNO6 and a molecular weight of 379.80 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
PubChem CID7681395
Molecular FormulaC18H18ClNO6
Molecular Weight379.80 g/mol
Exact Mass379.08
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H18ClNO6/c1-23-13-6-4-12(5-7-13)20-16(21)10-26-18(22)11-8-14(19)17(25-3)15(9-11)24-2/h4-9H,10H2,1-3H3,(H,20,21)
InChIKeyBQYKXAXPPCWTLF-UHFFFAOYSA-N
XLogP3.16
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654496
[2-(4-chloroanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2665383
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-chloro-4,5-dimethoxybenzoate
CID 41229452
[2-(4-carbamoylanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2499683
[2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654549
[2-(4-methoxyanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate
CID 27110421
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 16513388
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253828
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681045
[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

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate (CID 7681395) is [2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate is COc1ccc(NC(=O)COC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate?
The InChIKey is BQYKXAXPPCWTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO6/c1-23-13-6-4-12(5-7-13)20-16(21)10-26-18(22)11-8-14(19)17(25-3)15(9-11)24-2/h4-9H,10H2,1-3H3,(H,20,21).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate?
[2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate has a molecular weight of 379.80 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate is sourced from PubChem (CID 7681395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).