[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate

C18H18ClNO5 — CID 7234832

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
SMILESCOc1ccccc1NC(=O)COC(=O)COc1cc(C)ccc1Cl
InChIInChI=1S/C18H18ClNO5/c1-12-7-8-13(19)16(9-12)24-11-18(22)25-10-17(21)20-14-5-3-4-6-15(14)23-2/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyCRKQOGODDFDBRH-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.22
Rot. Bonds7

About [2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate

[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate (PubChem CID 7234832) has the molecular formula C18H18ClNO5 and a molecular weight of 363.80 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
PubChem CID7234832
Molecular FormulaC18H18ClNO5
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
SMILESCOc1ccccc1NC(=O)COC(=O)COc1cc(C)ccc1Cl
InChIInChI=1S/C18H18ClNO5/c1-12-7-8-13(19)16(9-12)24-11-18(22)25-10-17(21)20-14-5-3-4-6-15(14)23-2/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyCRKQOGODDFDBRH-UHFFFAOYSA-N
XLogP3.22
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7570439
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 42003289
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234812
2-(2-chloro-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 2611371
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 4044601
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854137
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272270
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854133
2-(2-chloro-5-methylphenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 7778322
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 30033969
2-(2-chloro-5-methylphenoxy)-N-(2-fluorophenyl)acetamide
CID 7642832
methyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7570532

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate (CID 7234832) is [2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate is COc1ccccc1NC(=O)COC(=O)COc1cc(C)ccc1Cl.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate?
The InChIKey is CRKQOGODDFDBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5/c1-12-7-8-13(19)16(9-12)24-11-18(22)25-10-17(21)20-14-5-3-4-6-15(14)23-2/h3-9H,10-11H2,1-2H3,(H,20,21).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate?
[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate has a molecular weight of 363.80 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate is sourced from PubChem (CID 7234832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).