[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate

C18H18BrNO5 — CID 9140411

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
SMILESCCOc1ccccc1NC(=O)COC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C18H18BrNO5/c1-2-23-16-6-4-3-5-15(16)20-17(21)11-25-18(22)12-24-14-9-7-13(19)8-10-14/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyVNNHNZCTFQQUMV-UHFFFAOYSA-N
MW408.25 g/mol
LogP3.41
Rot. Bonds8

About [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate

[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate (PubChem CID 9140411) has the molecular formula C18H18BrNO5 and a molecular weight of 408.25 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
PubChem CID9140411
Molecular FormulaC18H18BrNO5
Molecular Weight408.25 g/mol
Exact Mass407.04
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
SMILESCCOc1ccccc1NC(=O)COC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C18H18BrNO5/c1-2-23-16-6-4-3-5-15(16)20-17(21)11-25-18(22)12-24-14-9-7-13(19)8-10-14/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyVNNHNZCTFQQUMV-UHFFFAOYSA-N
XLogP3.41
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328128
2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
CID 21212223
N-(2-ethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 727173
4-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2-ethoxyphenyl)benzamide
CID 156704858
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140402
N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 7919529
[2-(2-cyanoanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 7842616
2-(4-bromophenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 17074248
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317763
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997830
[2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149321
N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 723516

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate (CID 9140411) is [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate is CCOc1ccccc1NC(=O)COC(=O)COc1ccc(Br)cc1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The InChIKey is VNNHNZCTFQQUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO5/c1-2-23-16-6-4-3-5-15(16)20-17(21)11-25-18(22)12-24-14-9-7-13(19)8-10-14/h3-10H,2,11-12H2,1H3,(H,20,21).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate has a molecular weight of 408.25 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate is sourced from PubChem (CID 9140411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).