[2-(2,4-dibromoanilino)-2-oxoethyl] 4-morpholin-4-yl-4-oxobutanoate

C16H18Br2N2O5 — CID 2392829

IUPAC[2-(2,4-dibromoanilino)-2-oxoethyl] 4-morpholin-4-yl-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)N1CCOCC1)Nc1ccc(Br)cc1Br
InChIInChI=1S/C16H18Br2N2O5/c17-11-1-2-13(12(18)9-11)19-14(21)10-25-16(23)4-3-15(22)20-5-7-24-8-6-20/h1-2,9H,3-8,10H2,(H,19,21)
InChIKeyRIHQOCJCMBICDV-UHFFFAOYSA-N
MW478.14 g/mol
LogP2.33
Rot. Bonds6

About [2-(2,4-dibromoanilino)-2-oxoethyl] 4-morpholin-4-yl-4-oxobutanoate

[2-(2,4-dibromoanilino)-2-oxoethyl] 4-morpholin-4-yl-4-oxobutanoate (PubChem CID 2392829) has the molecular formula C16H18Br2N2O5 and a molecular weight of 478.14 g/mol. Its IUPAC name is [2-(2,4-dibromoanilino)-2-oxoethyl] 4-morpholin-4-yl-4-oxobutanoate.

Molecular Properties

Compound Name[2-(2,4-dibromoanilino)-2-oxoethyl] 4-morpholin-4-yl-4-oxobutanoate
PubChem CID2392829
Molecular FormulaC16H18Br2N2O5
Molecular Weight478.14 g/mol
Exact Mass475.96
IUPAC Name[2-(2,4-dibromoanilino)-2-oxoethyl] 4-morpholin-4-yl-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)N1CCOCC1)Nc1ccc(Br)cc1Br
InChIInChI=1S/C16H18Br2N2O5/c17-11-1-2-13(12(18)9-11)19-14(21)10-25-16(23)4-3-15(22)20-5-7-24-8-6-20/h1-2,9H,3-8,10H2,(H,19,21)
InChIKeyRIHQOCJCMBICDV-UHFFFAOYSA-N
XLogP2.33
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.14
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dibromoanilino)-2-oxoethyl] 4-morpholin-4-yl-4-oxobutanoate?
The IUPAC name of [2-(2,4-dibromoanilino)-2-oxoethyl] 4-morpholin-4-yl-4-oxobutanoate (CID 2392829) is [2-(2,4-dibromoanilino)-2-oxoethyl] 4-morpholin-4-yl-4-oxobutanoate.
What is the SMILES notation for [2-(2,4-dibromoanilino)-2-oxoethyl] 4-morpholin-4-yl-4-oxobutanoate?
The canonical SMILES for [2-(2,4-dibromoanilino)-2-oxoethyl] 4-morpholin-4-yl-4-oxobutanoate is O=C(COC(=O)CCC(=O)N1CCOCC1)Nc1ccc(Br)cc1Br.
What is the InChIKey of [2-(2,4-dibromoanilino)-2-oxoethyl] 4-morpholin-4-yl-4-oxobutanoate?
The InChIKey is RIHQOCJCMBICDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Br2N2O5/c17-11-1-2-13(12(18)9-11)19-14(21)10-25-16(23)4-3-15(22)20-5-7-24-8-6-20/h1-2,9H,3-8,10H2,(H,19,21).
What are the key properties of [2-(2,4-dibromoanilino)-2-oxoethyl] 4-morpholin-4-yl-4-oxobutanoate?
[2-(2,4-dibromoanilino)-2-oxoethyl] 4-morpholin-4-yl-4-oxobutanoate has a molecular weight of 478.14 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dibromoanilino)-2-oxoethyl] 4-morpholin-4-yl-4-oxobutanoate is sourced from PubChem (CID 2392829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).