2-(5,7-dibromo-2,3-dioxoindol-1-yl)-N-phenylacetamide

C16H10Br2N2O3 — CID 73349208

IUPAC2-(5,7-dibromo-2,3-dioxoindol-1-yl)-N-phenylacetamide
SMILESO=C(CN1C(=O)C(=O)c2cc(Br)cc(Br)c21)Nc1ccccc1
InChIInChI=1S/C16H10Br2N2O3/c17-9-6-11-14(12(18)7-9)20(16(23)15(11)22)8-13(21)19-10-4-2-1-3-5-10/h1-7H,8H2,(H,19,21)
InChIKeyVNNPNBVSQNSJNK-UHFFFAOYSA-N
MW438.08 g/mol
LogP3.38
Rot. Bonds3

About 2-(5,7-dibromo-2,3-dioxoindol-1-yl)-N-phenylacetamide

2-(5,7-dibromo-2,3-dioxoindol-1-yl)-N-phenylacetamide (PubChem CID 73349208) has the molecular formula C16H10Br2N2O3 and a molecular weight of 438.08 g/mol. Its IUPAC name is 2-(5,7-dibromo-2,3-dioxoindol-1-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(5,7-dibromo-2,3-dioxoindol-1-yl)-N-phenylacetamide
PubChem CID73349208
Molecular FormulaC16H10Br2N2O3
Molecular Weight438.08 g/mol
Exact Mass435.91
IUPAC Name2-(5,7-dibromo-2,3-dioxoindol-1-yl)-N-phenylacetamide
SMILESO=C(CN1C(=O)C(=O)c2cc(Br)cc(Br)c21)Nc1ccccc1
InChIInChI=1S/C16H10Br2N2O3/c17-9-6-11-14(12(18)7-9)20(16(23)15(11)22)8-13(21)19-10-4-2-1-3-5-10/h1-7H,8H2,(H,19,21)
InChIKeyVNNPNBVSQNSJNK-UHFFFAOYSA-N
XLogP3.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.08
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dibromo-2,3-dioxoindol-1-yl)-N-phenylacetamide?
The IUPAC name of 2-(5,7-dibromo-2,3-dioxoindol-1-yl)-N-phenylacetamide (CID 73349208) is 2-(5,7-dibromo-2,3-dioxoindol-1-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(5,7-dibromo-2,3-dioxoindol-1-yl)-N-phenylacetamide?
The canonical SMILES for 2-(5,7-dibromo-2,3-dioxoindol-1-yl)-N-phenylacetamide is O=C(CN1C(=O)C(=O)c2cc(Br)cc(Br)c21)Nc1ccccc1.
What is the InChIKey of 2-(5,7-dibromo-2,3-dioxoindol-1-yl)-N-phenylacetamide?
The InChIKey is VNNPNBVSQNSJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2N2O3/c17-9-6-11-14(12(18)7-9)20(16(23)15(11)22)8-13(21)19-10-4-2-1-3-5-10/h1-7H,8H2,(H,19,21).
What are the key properties of 2-(5,7-dibromo-2,3-dioxoindol-1-yl)-N-phenylacetamide?
2-(5,7-dibromo-2,3-dioxoindol-1-yl)-N-phenylacetamide has a molecular weight of 438.08 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dibromo-2,3-dioxoindol-1-yl)-N-phenylacetamide is sourced from PubChem (CID 73349208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).