[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate

C19H20ClNO5 — CID 9140055

IUPAC[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
SMILESCOc1ccc(NC(=O)COC(=O)CCOc2ccccc2C)cc1Cl
InChIInChI=1S/C19H20ClNO5/c1-13-5-3-4-6-16(13)25-10-9-19(23)26-12-18(22)21-14-7-8-17(24-2)15(20)11-14/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyLRJJLVVJSGUWBM-UHFFFAOYSA-N
MW377.82 g/mol
LogP3.61
Rot. Bonds8

About [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate

[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate (PubChem CID 9140055) has the molecular formula C19H20ClNO5 and a molecular weight of 377.82 g/mol. Its IUPAC name is [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
PubChem CID9140055
Molecular FormulaC19H20ClNO5
Molecular Weight377.82 g/mol
Exact Mass377.10
IUPAC Name[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
SMILESCOc1ccc(NC(=O)COC(=O)CCOc2ccccc2C)cc1Cl
InChIInChI=1S/C19H20ClNO5/c1-13-5-3-4-6-16(13)25-10-9-19(23)26-12-18(22)21-14-7-8-17(24-2)15(20)11-14/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyLRJJLVVJSGUWBM-UHFFFAOYSA-N
XLogP3.61
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The IUPAC name of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate (CID 9140055) is [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate.
What is the SMILES notation for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The canonical SMILES for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate is COc1ccc(NC(=O)COC(=O)CCOc2ccccc2C)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The InChIKey is LRJJLVVJSGUWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO5/c1-13-5-3-4-6-16(13)25-10-9-19(23)26-12-18(22)21-14-7-8-17(24-2)15(20)11-14/h3-8,11H,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate has a molecular weight of 377.82 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate is sourced from PubChem (CID 9140055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).