5-bromo-2-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate

C16H13BrNO5- — CID 2164227

IUPAC5-bromo-2-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
SMILESCOc1ccccc1NC(=O)COc1ccc(Br)cc1C(=O)[O-]
InChIInChI=1S/C16H14BrNO5/c1-22-14-5-3-2-4-12(14)18-15(19)9-23-13-7-6-10(17)8-11(13)16(20)21/h2-8H,9H2,1H3,(H,18,19)(H,20,21)/p-1
InChIKeyXWYROBVIHUPCNJ-UHFFFAOYSA-M
MW379.19 g/mol
LogP1.84
Rot. Bonds6

About 5-bromo-2-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate

5-bromo-2-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate (PubChem CID 2164227) has the molecular formula C16H13BrNO5- and a molecular weight of 379.19 g/mol. Its IUPAC name is 5-bromo-2-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Name5-bromo-2-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
PubChem CID2164227
Molecular FormulaC16H13BrNO5-
Molecular Weight379.19 g/mol
Exact Mass378.00
IUPAC Name5-bromo-2-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
SMILESCOc1ccccc1NC(=O)COc1ccc(Br)cc1C(=O)[O-]
InChIInChI=1S/C16H14BrNO5/c1-22-14-5-3-2-4-12(14)18-15(19)9-23-13-7-6-10(17)8-11(13)16(20)21/h2-8H,9H2,1H3,(H,18,19)(H,20,21)/p-1
InChIKeyXWYROBVIHUPCNJ-UHFFFAOYSA-M
XLogP1.84
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.19
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-2-phenoxyacetamide
CID 47317656
2-(2-acetyl-4,6-dibromophenoxy)-N-(2-methoxyphenyl)acetamide
CID 2109479
2-[4-bromo-2-[(cyclopentylamino)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 979929
2-(5-bromo-2-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 87030481
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 7642319
5-bromo-2-hydroxy-N-[(Z)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126072144
2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 3955556
2-(5-amino-2-bromophenoxy)-N-(2-methoxyphenyl)acetamide
CID 103008653
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
CID 61072543
2-(2,4-dibromophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 1181190
5-bromo-2-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoate
CID 7366889
2-(4-bromo-2-methylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1363313

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate?
The IUPAC name of 5-bromo-2-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate (CID 2164227) is 5-bromo-2-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for 5-bromo-2-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for 5-bromo-2-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate is COc1ccccc1NC(=O)COc1ccc(Br)cc1C(=O)[O-].
What is the InChIKey of 5-bromo-2-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate?
The InChIKey is XWYROBVIHUPCNJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14BrNO5/c1-22-14-5-3-2-4-12(14)18-15(19)9-23-13-7-6-10(17)8-11(13)16(20)21/h2-8H,9H2,1H3,(H,18,19)(H,20,21)/p-1.
What are the key properties of 5-bromo-2-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate?
5-bromo-2-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate has a molecular weight of 379.19 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 2164227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).