1-[(6-bromonaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide

C20H13BrN2O3 — CID 162533603

IUPAC1-[(6-bromonaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C20H13BrN2O3/c21-15-5-3-12-7-11(1-2-13(12)8-15)10-23-17-6-4-14(19(22)25)9-16(17)18(24)20(23)26/h1-9H,10H2,(H2,22,25)
InChIKeySKGYHEXXWSDNGH-UHFFFAOYSA-N
MW409.24 g/mol
LogP3.43
Rot. Bonds3

About 1-[(6-bromonaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide

1-[(6-bromonaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide (PubChem CID 162533603) has the molecular formula C20H13BrN2O3 and a molecular weight of 409.24 g/mol. Its IUPAC name is 1-[(6-bromonaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide.

Molecular Properties

Compound Name1-[(6-bromonaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide
PubChem CID162533603
Molecular FormulaC20H13BrN2O3
Molecular Weight409.24 g/mol
Exact Mass408.01
IUPAC Name1-[(6-bromonaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C20H13BrN2O3/c21-15-5-3-12-7-11(1-2-13(12)8-15)10-23-17-6-4-14(19(22)25)9-16(17)18(24)20(23)26/h1-9H,10H2,(H2,22,25)
InChIKeySKGYHEXXWSDNGH-UHFFFAOYSA-N
XLogP3.43
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 53.43
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 1-[(6-bromonaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide?
The IUPAC name of 1-[(6-bromonaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide (CID 162533603) is 1-[(6-bromonaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide.
What is the SMILES notation for 1-[(6-bromonaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide?
The canonical SMILES for 1-[(6-bromonaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide is NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-[(6-bromonaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide?
The InChIKey is SKGYHEXXWSDNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2O3/c21-15-5-3-12-7-11(1-2-13(12)8-15)10-23-17-6-4-14(19(22)25)9-16(17)18(24)20(23)26/h1-9H,10H2,(H2,22,25).
What are the key properties of 1-[(6-bromonaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide?
1-[(6-bromonaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide has a molecular weight of 409.24 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromonaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide is sourced from PubChem (CID 162533603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).