methyl 5-bromo-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoate

C17H16BrNO4 — CID 8867169

IUPACmethyl 5-bromo-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(Br)ccc1NC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C17H16BrNO4/c1-22-13-6-3-11(4-7-13)9-16(20)19-15-8-5-12(18)10-14(15)17(21)23-2/h3-8,10H,9H2,1-2H3,(H,19,20)
InChIKeyFQHQEOFHZILLEM-UHFFFAOYSA-N
MW378.22 g/mol
LogP3.43
Rot. Bonds5

About methyl 5-bromo-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoate

methyl 5-bromo-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoate (PubChem CID 8867169) has the molecular formula C17H16BrNO4 and a molecular weight of 378.22 g/mol. Its IUPAC name is methyl 5-bromo-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 5-bromo-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoate
PubChem CID8867169
Molecular FormulaC17H16BrNO4
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC Namemethyl 5-bromo-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(Br)ccc1NC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C17H16BrNO4/c1-22-13-6-3-11(4-7-13)9-16(20)19-15-8-5-12(18)10-14(15)17(21)23-2/h3-8,10H,9H2,1-2H3,(H,19,20)
InChIKeyFQHQEOFHZILLEM-UHFFFAOYSA-N
XLogP3.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 154796139
methyl 5-bromo-2-[(2-thiophen-2-ylacetyl)amino]benzoate
CID 17415993
methyl 5-bromo-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19168701
5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid
CID 578470
N-(2-bromo-4-chlorophenyl)-2-(4-methoxyphenyl)acetamide
CID 81028782
methyl 5-bromo-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 19168722
N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)acetamide
CID 891449
dimethyl 4-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,2-dicarboxylate
CID 102407595
methyl 5-bromo-2-(ethylcarbamoylamino)benzoate
CID 799287
N-(4-fluoro-2-methylphenyl)-2-(4-methoxyphenyl)acetamide
CID 2676308
methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 5305505
dimethyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenoxy]benzene-1,2-dicarboxylate
CID 17296753

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoate?
The IUPAC name of methyl 5-bromo-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoate (CID 8867169) is methyl 5-bromo-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 5-bromo-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoate?
The canonical SMILES for methyl 5-bromo-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoate is COC(=O)c1cc(Br)ccc1NC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of methyl 5-bromo-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoate?
The InChIKey is FQHQEOFHZILLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO4/c1-22-13-6-3-11(4-7-13)9-16(20)19-15-8-5-12(18)10-14(15)17(21)23-2/h3-8,10H,9H2,1-2H3,(H,19,20).
What are the key properties of methyl 5-bromo-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoate?
methyl 5-bromo-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoate has a molecular weight of 378.22 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoate is sourced from PubChem (CID 8867169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).