methyl 2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]acetate

C19H22ClNO6 — CID 131964287

IUPACmethyl 2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]acetate
SMILESCOC(=O)C(Nc1cc(OC)cc(OCCO)c1)c1ccc(Cl)cc1OC
InChIInChI=1S/C19H22ClNO6/c1-24-14-9-13(10-15(11-14)27-7-6-22)21-18(19(23)26-3)16-5-4-12(20)8-17(16)25-2/h4-5,8-11,18,21-22H,6-7H2,1-3H3
InChIKeyBJXSBABEJIFRHN-UHFFFAOYSA-N
MW395.84 g/mol
LogP3.05
Rot. Bonds9

About methyl 2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]acetate

methyl 2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]acetate (PubChem CID 131964287) has the molecular formula C19H22ClNO6 and a molecular weight of 395.84 g/mol. Its IUPAC name is methyl 2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]acetate.

Molecular Properties

Compound Namemethyl 2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]acetate
PubChem CID131964287
Molecular FormulaC19H22ClNO6
Molecular Weight395.84 g/mol
Exact Mass395.11
IUPAC Namemethyl 2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]acetate
SMILESCOC(=O)C(Nc1cc(OC)cc(OCCO)c1)c1ccc(Cl)cc1OC
InChIInChI=1S/C19H22ClNO6/c1-24-14-9-13(10-15(11-14)27-7-6-22)21-18(19(23)26-3)16-5-4-12(20)8-17(16)25-2/h4-5,8-11,18,21-22H,6-7H2,1-3H3
InChIKeyBJXSBABEJIFRHN-UHFFFAOYSA-N
XLogP3.05
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(4-chloro-2-methoxyphenyl)-1-(4-fluoro-6-methoxy-5-methyl-1H-indol-3-yl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]ethanone
CID 175717039
2-(4-chloro-2-methoxyphenyl)-1-(5-fluoro-7-methyl-1H-indol-3-yl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]ethanone
CID 121255142
(2R)-2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 175715816
1-(6-chloro-1H-indol-3-yl)-2-(4-chloro-2-methoxyphenyl)-2-(3-ethoxy-5-methoxyanilino)ethanone
CID 145054302
1-(5-fluoro-6-methoxy-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]ethanone
CID 121254986
2-(4-chloro-2-methylphenyl)-1-(6-fluoro-5-methyl-1H-indol-3-yl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]ethanone
CID 146712155
(2R)-2-(4-chloro-2-fluorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 175715763
2-(4-chlorophenyl)-1-(5,6-dimethyl-2,3-dihydroindol-1-yl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]ethanone
CID 157262535
2-(4-chloro-2-methylphenyl)-1-(3,7-dihydro-2H-furo[3,2-f]indol-5-yl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]ethanone
CID 158865273
2-[2-[2-[tert-butyl(dimethyl)-λ4-sulfanyl]oxyethoxy]-4-chlorophenyl]-2-[3-methoxy-5-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]anilino]acetic acid
CID 142476943
2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-(6-fluoro-7-methyl-1H-indol-3-yl)-2-(3-methoxy-5-methylsulfonylanilino)ethanone;methane
CID 162018278
1-(4-chloro-2-methoxyphenyl)-2-methoxy-2-oxoethanediazonium
CID 86617424

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]acetate?
The IUPAC name of methyl 2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]acetate (CID 131964287) is methyl 2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]acetate.
What is the SMILES notation for methyl 2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]acetate?
The canonical SMILES for methyl 2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]acetate is COC(=O)C(Nc1cc(OC)cc(OCCO)c1)c1ccc(Cl)cc1OC.
What is the InChIKey of methyl 2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]acetate?
The InChIKey is BJXSBABEJIFRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO6/c1-24-14-9-13(10-15(11-14)27-7-6-22)21-18(19(23)26-3)16-5-4-12(20)8-17(16)25-2/h4-5,8-11,18,21-22H,6-7H2,1-3H3.
What are the key properties of methyl 2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]acetate?
methyl 2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]acetate has a molecular weight of 395.84 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]acetate is sourced from PubChem (CID 131964287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).