[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate

C19H20ClNO6 — CID 7854133

IUPAC[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1cc(Cl)c(C)cc1NC(=O)COC(=O)COc1ccccc1OC
InChIInChI=1S/C19H20ClNO6/c1-12-8-14(17(25-3)9-13(12)20)21-18(22)10-27-19(23)11-26-16-7-5-4-6-15(16)24-2/h4-9H,10-11H2,1-3H3,(H,21,22)
InChIKeyRVACRLYJDNTMIW-UHFFFAOYSA-N
MW393.82 g/mol
LogP3.23
Rot. Bonds8

About [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate

[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate (PubChem CID 7854133) has the molecular formula C19H20ClNO6 and a molecular weight of 393.82 g/mol. Its IUPAC name is [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
PubChem CID7854133
Molecular FormulaC19H20ClNO6
Molecular Weight393.82 g/mol
Exact Mass393.10
IUPAC Name[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1cc(Cl)c(C)cc1NC(=O)COC(=O)COc1ccccc1OC
InChIInChI=1S/C19H20ClNO6/c1-12-8-14(17(25-3)9-13(12)20)21-18(22)10-27-19(23)11-26-16-7-5-4-6-15(16)24-2/h4-9H,10-11H2,1-3H3,(H,21,22)
InChIKeyRVACRLYJDNTMIW-UHFFFAOYSA-N
XLogP3.23
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.82
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 35777195
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 42003289
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854137
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2554604
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 35987719
[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234832
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840691
3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide
CID 1189115
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate
CID 7811497
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 29154774
2-(2-bromo-4-fluorophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 40604024

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The IUPAC name of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate (CID 7854133) is [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate is COc1cc(Cl)c(C)cc1NC(=O)COC(=O)COc1ccccc1OC.
What is the InChIKey of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The InChIKey is RVACRLYJDNTMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO6/c1-12-8-14(17(25-3)9-13(12)20)21-18(22)10-27-19(23)11-26-16-7-5-4-6-15(16)24-2/h4-9H,10-11H2,1-3H3,(H,21,22).
What are the key properties of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate has a molecular weight of 393.82 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 7854133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).