[2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate

C17H16BrNO4 — CID 2555539

IUPAC[2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)Nc1ccccc1Br
InChIInChI=1S/C17H16BrNO4/c1-12-6-2-5-9-15(12)22-11-17(21)23-10-16(20)19-14-8-4-3-7-13(14)18/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyRTSBUCMZCXFANV-UHFFFAOYSA-N
MW378.22 g/mol
LogP3.32
Rot. Bonds6

About [2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate

[2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate (PubChem CID 2555539) has the molecular formula C17H16BrNO4 and a molecular weight of 378.22 g/mol. Its IUPAC name is [2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
PubChem CID2555539
Molecular FormulaC17H16BrNO4
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC Name[2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)Nc1ccccc1Br
InChIInChI=1S/C17H16BrNO4/c1-12-6-2-5-9-15(12)22-11-17(21)23-10-16(20)19-14-8-4-3-7-13(14)18/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyRTSBUCMZCXFANV-UHFFFAOYSA-N
XLogP3.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842438
N-(2-bromophenyl)-2-[[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 8503107
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704893
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 27914629
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2555443
[2-(2-bromoanilino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 2594788
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335548
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767828
N-(2-bromophenyl)-2-(3-hydroxy-2-methylphenoxy)acetamide
CID 43143290
2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 4268113
[2-(2-methylanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626764

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate (CID 2555539) is [2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)OCC(=O)Nc1ccccc1Br.
What is the InChIKey of [2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The InChIKey is RTSBUCMZCXFANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO4/c1-12-6-2-5-9-15(12)22-11-17(21)23-10-16(20)19-14-8-4-3-7-13(14)18/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of [2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
[2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate has a molecular weight of 378.22 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 2555539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).