[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate

C17H16BrNO5 — CID 2357826

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
SMILESCOc1cccc(NC(=O)COC(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C17H16BrNO5/c1-22-15-4-2-3-13(9-15)19-16(20)10-24-17(21)11-23-14-7-5-12(18)6-8-14/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyFZTCMFCFEWMZLX-UHFFFAOYSA-N
MW394.22 g/mol
LogP3.02
Rot. Bonds7

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

[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate (PubChem CID 2357826) has the molecular formula C17H16BrNO5 and a molecular weight of 394.22 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
PubChem CID2357826
Molecular FormulaC17H16BrNO5
Molecular Weight394.22 g/mol
Exact Mass393.02
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
SMILESCOc1cccc(NC(=O)COC(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C17H16BrNO5/c1-22-15-4-2-3-13(9-15)19-16(20)10-24-17(21)11-23-14-7-5-12(18)6-8-14/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyFZTCMFCFEWMZLX-UHFFFAOYSA-N
XLogP3.02
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.22
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590569
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate
CID 35778947
[2-(3-iodoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 23796368
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 7842501
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromo-2-chloro-6-methylphenoxy)acetate
CID 41059684
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
[2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8526262
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
2-(4-bromophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154695
[2-(3-methoxyanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 2588862
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate (CID 2357826) is [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate is COc1cccc(NC(=O)COC(=O)COc2ccc(Br)cc2)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The InChIKey is FZTCMFCFEWMZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO5/c1-22-15-4-2-3-13(9-15)19-16(20)10-24-17(21)11-23-14-7-5-12(18)6-8-14/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate has a molecular weight of 394.22 g/mol, XLogP of 3.02, 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-bromophenoxy)acetate is sourced from PubChem (CID 2357826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).