5-bromo-N-methyl-1H-indole-3-carboxamide

C10H9BrN2O — CID 142746507

IUPAC5-bromo-N-methyl-1H-indole-3-carboxamide
SMILESCNC(=O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C10H9BrN2O/c1-12-10(14)8-5-13-9-3-2-6(11)4-7(8)9/h2-5,13H,1H3,(H,12,14)
InChIKeyLZDRCJQJIMXPHP-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.29
Rot. Bonds1

About 5-bromo-N-methyl-1H-indole-3-carboxamide

5-bromo-N-methyl-1H-indole-3-carboxamide (PubChem CID 142746507) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 5-bromo-N-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-1H-indole-3-carboxamide
PubChem CID142746507
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name5-bromo-N-methyl-1H-indole-3-carboxamide
SMILESCNC(=O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C10H9BrN2O/c1-12-10(14)8-5-13-9-3-2-6(11)4-7(8)9/h2-5,13H,1H3,(H,12,14)
InChIKeyLZDRCJQJIMXPHP-UHFFFAOYSA-N
XLogP2.29
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-1H-indole-3-carbohydrazide
CID 156904296
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane
CID 162765516
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720
5-bromo-N-cyclopentyl-1H-indole-3-carboxamide
CID 172654540
5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide
CID 25362200
(2S)-2-[(5-bromo-1H-indole-3-carbonyl)amino]-4-methylpentanoic acid
CID 154742327
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
1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one
CID 162765701
6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172682995
5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide
CID 172654541

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-1H-indole-3-carboxamide?
The IUPAC name of 5-bromo-N-methyl-1H-indole-3-carboxamide (CID 142746507) is 5-bromo-N-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-1H-indole-3-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-1H-indole-3-carboxamide is CNC(=O)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-methyl-1H-indole-3-carboxamide?
The InChIKey is LZDRCJQJIMXPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-12-10(14)8-5-13-9-3-2-6(11)4-7(8)9/h2-5,13H,1H3,(H,12,14).
What are the key properties of 5-bromo-N-methyl-1H-indole-3-carboxamide?
5-bromo-N-methyl-1H-indole-3-carboxamide has a molecular weight of 253.10 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 142746507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).