[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate

C16H14Br2N2O5 — CID 2573753

IUPAC[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)COC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H14Br2N2O5/c1-9-6-10(17)2-3-11(9)20-14(21)7-19-15(22)8-24-16(23)12-4-5-13(18)25-12/h2-6H,7-8H2,1H3,(H,19,22)(H,20,21)
InChIKeyYBMXSMRBSITEPE-UHFFFAOYSA-N
MW474.11 g/mol
LogP3.02
Rot. Bonds6

About [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate

[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate (PubChem CID 2573753) has the molecular formula C16H14Br2N2O5 and a molecular weight of 474.11 g/mol. Its IUPAC name is [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
PubChem CID2573753
Molecular FormulaC16H14Br2N2O5
Molecular Weight474.11 g/mol
Exact Mass471.93
IUPAC Name[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)COC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H14Br2N2O5/c1-9-6-10(17)2-3-11(9)20-14(21)7-19-15(22)8-24-16(23)12-4-5-13(18)25-12/h2-6H,7-8H2,1H3,(H,19,22)(H,20,21)
InChIKeyYBMXSMRBSITEPE-UHFFFAOYSA-N
XLogP3.02
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.11
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate with MolForge

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Related Compounds

[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 8014038
[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 2539835
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-bromofuran-2-carboxylate
CID 2589494
[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2597422
[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 16540249
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 5-bromofuran-2-carboxylate
CID 2431119
[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501031
5-bromo-N-[2-[4-(dimethylamino)-2-methylanilino]-2-oxoethyl]furan-2-carboxamide
CID 55708868
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide
CID 17439988
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549433
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 27781319
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7485046

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The IUPAC name of [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate (CID 2573753) is [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate.
What is the SMILES notation for [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The canonical SMILES for [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate is Cc1cc(Br)ccc1NC(=O)CNC(=O)COC(=O)c1ccc(Br)o1.
What is the InChIKey of [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The InChIKey is YBMXSMRBSITEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N2O5/c1-9-6-10(17)2-3-11(9)20-14(21)7-19-15(22)8-24-16(23)12-4-5-13(18)25-12/h2-6H,7-8H2,1H3,(H,19,22)(H,20,21).
What are the key properties of [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate has a molecular weight of 474.11 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate is sourced from PubChem (CID 2573753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).