2-bromo-N-tert-butyl-N,1-dimethylindole-3-carboxamide

C15H19BrN2O — CID 101108562

IUPAC2-bromo-N-tert-butyl-N,1-dimethylindole-3-carboxamide
SMILESCN(C(=O)c1c(Br)n(C)c2ccccc12)C(C)(C)C
InChIInChI=1S/C15H19BrN2O/c1-15(2,3)18(5)14(19)12-10-8-6-7-9-11(10)17(4)13(12)16/h6-9H,1-5H3
InChIKeyLQFSFDNVFLFBJV-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.81
Rot. Bonds1

About 2-bromo-N-tert-butyl-N,1-dimethylindole-3-carboxamide

2-bromo-N-tert-butyl-N,1-dimethylindole-3-carboxamide (PubChem CID 101108562) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-bromo-N-tert-butyl-N,1-dimethylindole-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-tert-butyl-N,1-dimethylindole-3-carboxamide
PubChem CID101108562
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name2-bromo-N-tert-butyl-N,1-dimethylindole-3-carboxamide
SMILESCN(C(=O)c1c(Br)n(C)c2ccccc12)C(C)(C)C
InChIInChI=1S/C15H19BrN2O/c1-15(2,3)18(5)14(19)12-10-8-6-7-9-11(10)17(4)13(12)16/h6-9H,1-5H3
InChIKeyLQFSFDNVFLFBJV-UHFFFAOYSA-N
XLogP3.81
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-methylindole-3-carboxylic acid
CID 10800903
2-bromo-N-tert-butyl-N-methylbenzamide
CID 4597758
1-(2-tert-butyl-1-methylindol-3-yl)ethanone
CID 101348045
3-bromo-N-[2-(dimethylamino)-2-methylpropyl]-1-methylindole-2-carboxamide
CID 71889789
N-acetyl-N-tert-butyl-2-(4-methoxyphenyl)-1-methylindole-3-carboxamide
CID 102440445
1-(2-bromo-1-methylindol-3-yl)-N-tert-butylmethanimine
CID 11173871
3-bromo-1-methylindole-2-carboxylic acid
CID 15290332
3-(tert-butylcarbamoyl)-1-methylindole-2-carboxylic acid
CID 117062276
1-methyl-2-phenylindole-3-carboxylic acid
CID 8899719
4-acetyl-3-hydroxy-1-methylquinolin-2-one
CID 134987022
3-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide
CID 46493490
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-tert-butyl-N,1-dimethylindole-3-carboxamide?
The IUPAC name of 2-bromo-N-tert-butyl-N,1-dimethylindole-3-carboxamide (CID 101108562) is 2-bromo-N-tert-butyl-N,1-dimethylindole-3-carboxamide.
What is the SMILES notation for 2-bromo-N-tert-butyl-N,1-dimethylindole-3-carboxamide?
The canonical SMILES for 2-bromo-N-tert-butyl-N,1-dimethylindole-3-carboxamide is CN(C(=O)c1c(Br)n(C)c2ccccc12)C(C)(C)C.
What is the InChIKey of 2-bromo-N-tert-butyl-N,1-dimethylindole-3-carboxamide?
The InChIKey is LQFSFDNVFLFBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-15(2,3)18(5)14(19)12-10-8-6-7-9-11(10)17(4)13(12)16/h6-9H,1-5H3.
What are the key properties of 2-bromo-N-tert-butyl-N,1-dimethylindole-3-carboxamide?
2-bromo-N-tert-butyl-N,1-dimethylindole-3-carboxamide has a molecular weight of 323.23 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-tert-butyl-N,1-dimethylindole-3-carboxamide is sourced from PubChem (CID 101108562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).