5,6-dibromo-N-(2-methylprop-2-enyl)-1H-indole-3-carboxamide

C13H12Br2N2O — CID 114618935

IUPAC5,6-dibromo-N-(2-methylprop-2-enyl)-1H-indole-3-carboxamide
SMILESC=C(C)CNC(=O)c1c[nH]c2cc(Br)c(Br)cc12
InChIInChI=1S/C13H12Br2N2O/c1-7(2)5-17-13(18)9-6-16-12-4-11(15)10(14)3-8(9)12/h3-4,6,16H,1,5H2,2H3,(H,17,18)
InChIKeyHFVGVXPJKZSLHD-UHFFFAOYSA-N
MW372.06 g/mol
LogP4.00
Rot. Bonds3

About 5,6-dibromo-N-(2-methylprop-2-enyl)-1H-indole-3-carboxamide

5,6-dibromo-N-(2-methylprop-2-enyl)-1H-indole-3-carboxamide (PubChem CID 114618935) has the molecular formula C13H12Br2N2O and a molecular weight of 372.06 g/mol. Its IUPAC name is 5,6-dibromo-N-(2-methylprop-2-enyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5,6-dibromo-N-(2-methylprop-2-enyl)-1H-indole-3-carboxamide
PubChem CID114618935
Molecular FormulaC13H12Br2N2O
Molecular Weight372.06 g/mol
Exact Mass369.93
IUPAC Name5,6-dibromo-N-(2-methylprop-2-enyl)-1H-indole-3-carboxamide
SMILESC=C(C)CNC(=O)c1c[nH]c2cc(Br)c(Br)cc12
InChIInChI=1S/C13H12Br2N2O/c1-7(2)5-17-13(18)9-6-16-12-4-11(15)10(14)3-8(9)12/h3-4,6,16H,1,5H2,2H3,(H,17,18)
InChIKeyHFVGVXPJKZSLHD-UHFFFAOYSA-N
XLogP4.00
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.06
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(5,6-dibromo-1H-indole-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427247
5,6-dibromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-indole-3-carboxamide
CID 106180224
5,6-dibromo-N-tert-butyl-1H-indole-3-carboxamide
CID 60676008
5,6-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)-1H-indole-3-carboxamide
CID 79252342
5,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]-1H-indole-3-carboxamide
CID 134049859
5,6-dibromo-N-(1-hydroxy-4-methylpentan-3-yl)-1H-indole-3-carboxamide
CID 103852404
2-[(5,6-dibromo-1H-indole-3-carbonyl)amino]pentanoic acid
CID 43630529
5,6-dibromo-N-[3-(dimethylcarbamoyl)phenyl]-1H-indole-3-carboxamide
CID 134046254
4-fluoro-N-(2-methylprop-2-enyl)-1H-pyrrole-2-carboxamide
CID 126787465
methyl 6-bromo-5-methyl-1H-indole-3-carboxylate
CID 130049639
methyl 5-bromo-6-(methoxymethyl)-1H-indole-3-carboxylate
CID 67695947
2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
CID 107723898

Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-N-(2-methylprop-2-enyl)-1H-indole-3-carboxamide?
The IUPAC name of 5,6-dibromo-N-(2-methylprop-2-enyl)-1H-indole-3-carboxamide (CID 114618935) is 5,6-dibromo-N-(2-methylprop-2-enyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5,6-dibromo-N-(2-methylprop-2-enyl)-1H-indole-3-carboxamide?
The canonical SMILES for 5,6-dibromo-N-(2-methylprop-2-enyl)-1H-indole-3-carboxamide is C=C(C)CNC(=O)c1c[nH]c2cc(Br)c(Br)cc12.
What is the InChIKey of 5,6-dibromo-N-(2-methylprop-2-enyl)-1H-indole-3-carboxamide?
The InChIKey is HFVGVXPJKZSLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O/c1-7(2)5-17-13(18)9-6-16-12-4-11(15)10(14)3-8(9)12/h3-4,6,16H,1,5H2,2H3,(H,17,18).
What are the key properties of 5,6-dibromo-N-(2-methylprop-2-enyl)-1H-indole-3-carboxamide?
5,6-dibromo-N-(2-methylprop-2-enyl)-1H-indole-3-carboxamide has a molecular weight of 372.06 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-N-(2-methylprop-2-enyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 114618935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).