[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromo-2-chloro-6-methylphenoxy)acetate

C18H17BrClNO5 — CID 41059684

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromo-2-chloro-6-methylphenoxy)acetate
SMILESCOc1cccc(NC(=O)COC(=O)COc2c(C)cc(Br)cc2Cl)c1
InChIInChI=1S/C18H17BrClNO5/c1-11-6-12(19)7-15(20)18(11)26-10-17(23)25-9-16(22)21-13-4-3-5-14(8-13)24-2/h3-8H,9-10H2,1-2H3,(H,21,22)
InChIKeyQQGXTFXGYKSHNP-UHFFFAOYSA-N
MW442.69 g/mol
LogP3.98
Rot. Bonds7

About [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromo-2-chloro-6-methylphenoxy)acetate

[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromo-2-chloro-6-methylphenoxy)acetate (PubChem CID 41059684) has the molecular formula C18H17BrClNO5 and a molecular weight of 442.69 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromo-2-chloro-6-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromo-2-chloro-6-methylphenoxy)acetate
PubChem CID41059684
Molecular FormulaC18H17BrClNO5
Molecular Weight442.69 g/mol
Exact Mass441.00
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromo-2-chloro-6-methylphenoxy)acetate
SMILESCOc1cccc(NC(=O)COC(=O)COc2c(C)cc(Br)cc2Cl)c1
InChIInChI=1S/C18H17BrClNO5/c1-11-6-12(19)7-15(20)18(11)26-10-17(23)25-9-16(22)21-13-4-3-5-14(8-13)24-2/h3-8H,9-10H2,1-2H3,(H,21,22)
InChIKeyQQGXTFXGYKSHNP-UHFFFAOYSA-N
XLogP3.98
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.69
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 7290642
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2357826
N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 2610777
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590569
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732341
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate
CID 35778947
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7233561
[2-(3-chloroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8528048
[2-(3-methoxyanilino)-2-oxoethyl] 5-(3-chloro-4-methylanilino)-5-oxopentanoate
CID 17261857
N-(3-methoxyphenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 731174
[2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803920
[2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate
CID 17257762

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromo-2-chloro-6-methylphenoxy)acetate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromo-2-chloro-6-methylphenoxy)acetate (CID 41059684) is [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromo-2-chloro-6-methylphenoxy)acetate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromo-2-chloro-6-methylphenoxy)acetate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromo-2-chloro-6-methylphenoxy)acetate is COc1cccc(NC(=O)COC(=O)COc2c(C)cc(Br)cc2Cl)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromo-2-chloro-6-methylphenoxy)acetate?
The InChIKey is QQGXTFXGYKSHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrClNO5/c1-11-6-12(19)7-15(20)18(11)26-10-17(23)25-9-16(22)21-13-4-3-5-14(8-13)24-2/h3-8H,9-10H2,1-2H3,(H,21,22).
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromo-2-chloro-6-methylphenoxy)acetate?
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromo-2-chloro-6-methylphenoxy)acetate has a molecular weight of 442.69 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromo-2-chloro-6-methylphenoxy)acetate is sourced from PubChem (CID 41059684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).