5,6-dibromo-N-tert-butyl-1H-indole-3-carboxamide

C13H14Br2N2O — CID 60676008

IUPAC5,6-dibromo-N-tert-butyl-1H-indole-3-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c2cc(Br)c(Br)cc12
InChIInChI=1S/C13H14Br2N2O/c1-13(2,3)17-12(18)8-6-16-11-5-10(15)9(14)4-7(8)11/h4-6,16H,1-3H3,(H,17,18)
InChIKeyFYZIEWAIQDBPJO-UHFFFAOYSA-N
MW374.08 g/mol
LogP4.22
Rot. Bonds1

About 5,6-dibromo-N-tert-butyl-1H-indole-3-carboxamide

5,6-dibromo-N-tert-butyl-1H-indole-3-carboxamide (PubChem CID 60676008) has the molecular formula C13H14Br2N2O and a molecular weight of 374.08 g/mol. Its IUPAC name is 5,6-dibromo-N-tert-butyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5,6-dibromo-N-tert-butyl-1H-indole-3-carboxamide
PubChem CID60676008
Molecular FormulaC13H14Br2N2O
Molecular Weight374.08 g/mol
Exact Mass371.95
IUPAC Name5,6-dibromo-N-tert-butyl-1H-indole-3-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c2cc(Br)c(Br)cc12
InChIInChI=1S/C13H14Br2N2O/c1-13(2,3)17-12(18)8-6-16-11-5-10(15)9(14)4-7(8)11/h4-6,16H,1-3H3,(H,17,18)
InChIKeyFYZIEWAIQDBPJO-UHFFFAOYSA-N
XLogP4.22
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.08
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-N-tert-butyl-1H-indole-3-carboxamide?
The IUPAC name of 5,6-dibromo-N-tert-butyl-1H-indole-3-carboxamide (CID 60676008) is 5,6-dibromo-N-tert-butyl-1H-indole-3-carboxamide.
What is the SMILES notation for 5,6-dibromo-N-tert-butyl-1H-indole-3-carboxamide?
The canonical SMILES for 5,6-dibromo-N-tert-butyl-1H-indole-3-carboxamide is CC(C)(C)NC(=O)c1c[nH]c2cc(Br)c(Br)cc12.
What is the InChIKey of 5,6-dibromo-N-tert-butyl-1H-indole-3-carboxamide?
The InChIKey is FYZIEWAIQDBPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O/c1-13(2,3)17-12(18)8-6-16-11-5-10(15)9(14)4-7(8)11/h4-6,16H,1-3H3,(H,17,18).
What are the key properties of 5,6-dibromo-N-tert-butyl-1H-indole-3-carboxamide?
5,6-dibromo-N-tert-butyl-1H-indole-3-carboxamide has a molecular weight of 374.08 g/mol, XLogP of 4.22, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-N-tert-butyl-1H-indole-3-carboxamide is sourced from PubChem (CID 60676008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).