2-(2-acetyl-5-methylanilino)-2-(2,6-dibromophenyl)acetamide

C17H16Br2N2O2 — CID 5028

IUPAC2-(2-acetyl-5-methylanilino)-2-(2,6-dibromophenyl)acetamide
SMILESCC(=O)c1ccc(C)cc1NC(C(N)=O)c1c(Br)cccc1Br
InChIInChI=1S/C17H16Br2N2O2/c1-9-6-7-11(10(2)22)14(8-9)21-16(17(20)23)15-12(18)4-3-5-13(15)19/h3-8,16,21H,1-2H3,(H2,20,23)
InChIKeyFELUFXCUIYHAPB-UHFFFAOYSA-N
MW440.14 g/mol
LogP4.36
Rot. Bonds5

About 2-(2-acetyl-5-methylanilino)-2-(2,6-dibromophenyl)acetamide

2-(2-acetyl-5-methylanilino)-2-(2,6-dibromophenyl)acetamide (PubChem CID 5028) has the molecular formula C17H16Br2N2O2 and a molecular weight of 440.14 g/mol. Its IUPAC name is 2-(2-acetyl-5-methylanilino)-2-(2,6-dibromophenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-5-methylanilino)-2-(2,6-dibromophenyl)acetamide
PubChem CID5028
Molecular FormulaC17H16Br2N2O2
Molecular Weight440.14 g/mol
Exact Mass437.96
IUPAC Name2-(2-acetyl-5-methylanilino)-2-(2,6-dibromophenyl)acetamide
SMILESCC(=O)c1ccc(C)cc1NC(C(N)=O)c1c(Br)cccc1Br
InChIInChI=1S/C17H16Br2N2O2/c1-9-6-7-11(10(2)22)14(8-9)21-16(17(20)23)15-12(18)4-3-5-13(15)19/h3-8,16,21H,1-2H3,(H2,20,23)
InChIKeyFELUFXCUIYHAPB-UHFFFAOYSA-N
XLogP4.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.14
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-5-methylanilino)-2-(2,6-dibromophenyl)acetamide?
The IUPAC name of 2-(2-acetyl-5-methylanilino)-2-(2,6-dibromophenyl)acetamide (CID 5028) is 2-(2-acetyl-5-methylanilino)-2-(2,6-dibromophenyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-5-methylanilino)-2-(2,6-dibromophenyl)acetamide?
The canonical SMILES for 2-(2-acetyl-5-methylanilino)-2-(2,6-dibromophenyl)acetamide is CC(=O)c1ccc(C)cc1NC(C(N)=O)c1c(Br)cccc1Br.
What is the InChIKey of 2-(2-acetyl-5-methylanilino)-2-(2,6-dibromophenyl)acetamide?
The InChIKey is FELUFXCUIYHAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2N2O2/c1-9-6-7-11(10(2)22)14(8-9)21-16(17(20)23)15-12(18)4-3-5-13(15)19/h3-8,16,21H,1-2H3,(H2,20,23).
What are the key properties of 2-(2-acetyl-5-methylanilino)-2-(2,6-dibromophenyl)acetamide?
2-(2-acetyl-5-methylanilino)-2-(2,6-dibromophenyl)acetamide has a molecular weight of 440.14 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-5-methylanilino)-2-(2,6-dibromophenyl)acetamide is sourced from PubChem (CID 5028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).