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

C18H17Cl2NO5 — CID 9273717

IUPAC[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
SMILESCOc1ccc(NC(=O)COC(=O)COc2ccc(Cl)c(C)c2)cc1Cl
InChIInChI=1S/C18H17Cl2NO5/c1-11-7-13(4-5-14(11)19)25-10-18(23)26-9-17(22)21-12-3-6-16(24-2)15(20)8-12/h3-8H,9-10H2,1-2H3,(H,21,22)
InChIKeyMQSXBUZQNYIWID-UHFFFAOYSA-N
MW398.24 g/mol
LogP3.87
Rot. Bonds7

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

[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate (PubChem CID 9273717) has the molecular formula C18H17Cl2NO5 and a molecular weight of 398.24 g/mol. Its IUPAC name is [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
PubChem CID9273717
Molecular FormulaC18H17Cl2NO5
Molecular Weight398.24 g/mol
Exact Mass397.05
IUPAC Name[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
SMILESCOc1ccc(NC(=O)COC(=O)COc2ccc(Cl)c(C)c2)cc1Cl
InChIInChI=1S/C18H17Cl2NO5/c1-11-7-13(4-5-14(11)19)25-10-18(23)26-9-17(22)21-12-3-6-16(24-2)15(20)8-12/h3-8H,9-10H2,1-2H3,(H,21,22)
InChIKeyMQSXBUZQNYIWID-UHFFFAOYSA-N
XLogP3.87
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.24
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 1409589
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273551
[2-(3-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273522
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8922452
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 7555394
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846193
[2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 2604812
ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate
CID 99952962
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 1409597
N-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide
CID 23409469
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 1349237
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(4-chloro-3-methylphenoxy)butanoate
CID 7199668

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The IUPAC name of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate (CID 9273717) is [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate.
What is the SMILES notation for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The canonical SMILES for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate is COc1ccc(NC(=O)COC(=O)COc2ccc(Cl)c(C)c2)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The InChIKey is MQSXBUZQNYIWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO5/c1-11-7-13(4-5-14(11)19)25-10-18(23)26-9-17(22)21-12-3-6-16(24-2)15(20)8-12/h3-8H,9-10H2,1-2H3,(H,21,22).
What are the key properties of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate has a molecular weight of 398.24 g/mol, XLogP of 3.87, 7 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] 2-(4-chloro-3-methylphenoxy)acetate is sourced from PubChem (CID 9273717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).