3-bromo-N-[2-(dimethylamino)-2-methylpropyl]-1-methylindole-2-carboxamide

C16H22BrN3O — CID 71889789

IUPAC3-bromo-N-[2-(dimethylamino)-2-methylpropyl]-1-methylindole-2-carboxamide
SMILESCN(C)C(C)(C)CNC(=O)c1c(Br)c2ccccc2n1C
InChIInChI=1S/C16H22BrN3O/c1-16(2,19(3)4)10-18-15(21)14-13(17)11-8-6-7-9-12(11)20(14)5/h6-9H,10H2,1-5H3,(H,18,21)
InChIKeyRZGJHFFBQMTPFE-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.01
Rot. Bonds4

About 3-bromo-N-[2-(dimethylamino)-2-methylpropyl]-1-methylindole-2-carboxamide

3-bromo-N-[2-(dimethylamino)-2-methylpropyl]-1-methylindole-2-carboxamide (PubChem CID 71889789) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 3-bromo-N-[2-(dimethylamino)-2-methylpropyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-(dimethylamino)-2-methylpropyl]-1-methylindole-2-carboxamide
PubChem CID71889789
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name3-bromo-N-[2-(dimethylamino)-2-methylpropyl]-1-methylindole-2-carboxamide
SMILESCN(C)C(C)(C)CNC(=O)c1c(Br)c2ccccc2n1C
InChIInChI=1S/C16H22BrN3O/c1-16(2,19(3)4)10-18-15(21)14-13(17)11-8-6-7-9-12(11)20(14)5/h6-9H,10H2,1-5H3,(H,18,21)
InChIKeyRZGJHFFBQMTPFE-UHFFFAOYSA-N
XLogP3.01
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(dimethylamino)-2-methylpropyl]-1-methylindole-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-(dimethylamino)-2-methylpropyl]-1-methylindole-2-carboxamide (CID 71889789) is 3-bromo-N-[2-(dimethylamino)-2-methylpropyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-(dimethylamino)-2-methylpropyl]-1-methylindole-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-(dimethylamino)-2-methylpropyl]-1-methylindole-2-carboxamide is CN(C)C(C)(C)CNC(=O)c1c(Br)c2ccccc2n1C.
What is the InChIKey of 3-bromo-N-[2-(dimethylamino)-2-methylpropyl]-1-methylindole-2-carboxamide?
The InChIKey is RZGJHFFBQMTPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-16(2,19(3)4)10-18-15(21)14-13(17)11-8-6-7-9-12(11)20(14)5/h6-9H,10H2,1-5H3,(H,18,21).
What are the key properties of 3-bromo-N-[2-(dimethylamino)-2-methylpropyl]-1-methylindole-2-carboxamide?
3-bromo-N-[2-(dimethylamino)-2-methylpropyl]-1-methylindole-2-carboxamide has a molecular weight of 352.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(dimethylamino)-2-methylpropyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 71889789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).