5-bromo-N,N-dimethyl-1H-indole-3-carboxamide

C11H11BrN2O — CID 22934720

IUPAC5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
SMILESCN(C)C(=O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H11BrN2O/c1-14(2)11(15)9-6-13-10-4-3-7(12)5-8(9)10/h3-6,13H,1-2H3
InChIKeyRGEURSPSEKWPMJ-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.63
Rot. Bonds1

About 5-bromo-N,N-dimethyl-1H-indole-3-carboxamide

5-bromo-N,N-dimethyl-1H-indole-3-carboxamide (PubChem CID 22934720) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 5-bromo-N,N-dimethyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
PubChem CID22934720
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
SMILESCN(C)C(=O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H11BrN2O/c1-14(2)11(15)9-6-13-10-4-3-7(12)5-8(9)10/h3-6,13H,1-2H3
InChIKeyRGEURSPSEKWPMJ-UHFFFAOYSA-N
XLogP2.63
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
5-bromo-1H-indole-3-carbohydrazide
CID 156904296
1-(5-bromo-1H-indol-3-yl)prop-2-en-1-one
CID 103522496
(5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone
CID 43340394
6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 141109801
1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane
CID 162765516
6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172682995
(5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 81324072
1-(5-bromo-1H-indol-3-yl)-2-propylpentan-1-one
CID 82985397
2-amino-1-(5-bromo-1H-indol-3-yl)butan-1-one
CID 162765729
(5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115368763

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-dimethyl-1H-indole-3-carboxamide?
The IUPAC name of 5-bromo-N,N-dimethyl-1H-indole-3-carboxamide (CID 22934720) is 5-bromo-N,N-dimethyl-1H-indole-3-carboxamide.
What is the SMILES notation for 5-bromo-N,N-dimethyl-1H-indole-3-carboxamide?
The canonical SMILES for 5-bromo-N,N-dimethyl-1H-indole-3-carboxamide is CN(C)C(=O)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N,N-dimethyl-1H-indole-3-carboxamide?
The InChIKey is RGEURSPSEKWPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-14(2)11(15)9-6-13-10-4-3-7(12)5-8(9)10/h3-6,13H,1-2H3.
What are the key properties of 5-bromo-N,N-dimethyl-1H-indole-3-carboxamide?
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide has a molecular weight of 267.13 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-dimethyl-1H-indole-3-carboxamide is sourced from PubChem (CID 22934720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).