[2-(2-methoxyanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate

C14H12BrNO5 — CID 2589480

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESCOc1ccccc1NC(=O)COC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H12BrNO5/c1-19-10-5-3-2-4-9(10)16-13(17)8-20-14(18)11-6-7-12(15)21-11/h2-7H,8H2,1H3,(H,16,17)
InChIKeyGDSAIZHHOSDFDX-UHFFFAOYSA-N
MW354.16 g/mol
LogP2.85
Rot. Bonds5

About [2-(2-methoxyanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate

[2-(2-methoxyanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate (PubChem CID 2589480) has the molecular formula C14H12BrNO5 and a molecular weight of 354.16 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate
PubChem CID2589480
Molecular FormulaC14H12BrNO5
Molecular Weight354.16 g/mol
Exact Mass352.99
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESCOc1ccccc1NC(=O)COC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H12BrNO5/c1-19-10-5-3-2-4-9(10)16-13(17)8-20-14(18)11-6-7-12(15)21-11/h2-7H,8H2,1H3,(H,16,17)
InChIKeyGDSAIZHHOSDFDX-UHFFFAOYSA-N
XLogP2.85
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.16
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2530916
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2429730
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 9201594
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 5-bromofuran-2-carboxylate
CID 2431119
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2573841
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-bromofuran-2-carboxylate
CID 2589494
[2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7554634
[2-(2-methoxyanilino)-2-oxoethyl] 3-acetylbenzoate
CID 46860686
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2423206
[2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519990
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-bromofuran-2-carboxylate
CID 7716846
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 8014074

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate (CID 2589480) is [2-(2-methoxyanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate is COc1ccccc1NC(=O)COC(=O)c1ccc(Br)o1.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate?
The InChIKey is GDSAIZHHOSDFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO5/c1-19-10-5-3-2-4-9(10)16-13(17)8-20-14(18)11-6-7-12(15)21-11/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate?
[2-(2-methoxyanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate has a molecular weight of 354.16 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate is sourced from PubChem (CID 2589480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).