[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate

C18H18BrNO4 — CID 9140402

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
SMILESCc1cccc(NC(=O)COC(=O)COc2ccc(Br)cc2)c1C
InChIInChI=1S/C18H18BrNO4/c1-12-4-3-5-16(13(12)2)20-17(21)10-24-18(22)11-23-15-8-6-14(19)7-9-15/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyOJNLTESDLOXUKS-UHFFFAOYSA-N
MW392.25 g/mol
LogP3.63
Rot. Bonds6

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

[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate (PubChem CID 9140402) has the molecular formula C18H18BrNO4 and a molecular weight of 392.25 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
PubChem CID9140402
Molecular FormulaC18H18BrNO4
Molecular Weight392.25 g/mol
Exact Mass391.04
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
SMILESCc1cccc(NC(=O)COC(=O)COc2ccc(Br)cc2)c1C
InChIInChI=1S/C18H18BrNO4/c1-12-4-3-5-16(13(12)2)20-17(21)10-24-18(22)11-23-15-8-6-14(19)7-9-15/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyOJNLTESDLOXUKS-UHFFFAOYSA-N
XLogP3.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate with MolForge

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Related Compounds

[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855530
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915200
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4801499
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140411
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853946
[2-(2-cyanoanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 7842616
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 40712962
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779559
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-(4-bromophenyl)-4-oxobutanoate
CID 27236835
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2357826
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982074
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 40706675

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate (CID 9140402) is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate is Cc1cccc(NC(=O)COC(=O)COc2ccc(Br)cc2)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The InChIKey is OJNLTESDLOXUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO4/c1-12-4-3-5-16(13(12)2)20-17(21)10-24-18(22)11-23-15-8-6-14(19)7-9-15/h3-9H,10-11H2,1-2H3,(H,20,21).
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate has a molecular weight of 392.25 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate is sourced from PubChem (CID 9140402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).