5-bromo-1,3-dimethyl-2H-indole-3-carboxamide

C11H13BrN2O — CID 156818902

IUPAC5-bromo-1,3-dimethyl-2H-indole-3-carboxamide
SMILESCN1CC(C)(C(N)=O)c2cc(Br)ccc21
InChIInChI=1S/C11H13BrN2O/c1-11(10(13)15)6-14(2)9-4-3-7(12)5-8(9)11/h3-5H,6H2,1-2H3,(H2,13,15)
InChIKeyPBSDIVTYFHAZHW-UHFFFAOYSA-N
MW269.14 g/mol
LogP1.64
Rot. Bonds1

About 5-bromo-1,3-dimethyl-2H-indole-3-carboxamide

5-bromo-1,3-dimethyl-2H-indole-3-carboxamide (PubChem CID 156818902) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 5-bromo-1,3-dimethyl-2H-indole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-1,3-dimethyl-2H-indole-3-carboxamide
PubChem CID156818902
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name5-bromo-1,3-dimethyl-2H-indole-3-carboxamide
SMILESCN1CC(C)(C(N)=O)c2cc(Br)ccc21
InChIInChI=1S/C11H13BrN2O/c1-11(10(13)15)6-14(2)9-4-3-7(12)5-8(9)11/h3-5H,6H2,1-2H3,(H2,13,15)
InChIKeyPBSDIVTYFHAZHW-UHFFFAOYSA-N
XLogP1.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-1,3-dimethyl-2H-indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-dimethyl-2H-indole-3-carboxamide?
The IUPAC name of 5-bromo-1,3-dimethyl-2H-indole-3-carboxamide (CID 156818902) is 5-bromo-1,3-dimethyl-2H-indole-3-carboxamide.
What is the SMILES notation for 5-bromo-1,3-dimethyl-2H-indole-3-carboxamide?
The canonical SMILES for 5-bromo-1,3-dimethyl-2H-indole-3-carboxamide is CN1CC(C)(C(N)=O)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1,3-dimethyl-2H-indole-3-carboxamide?
The InChIKey is PBSDIVTYFHAZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-11(10(13)15)6-14(2)9-4-3-7(12)5-8(9)11/h3-5H,6H2,1-2H3,(H2,13,15).
What are the key properties of 5-bromo-1,3-dimethyl-2H-indole-3-carboxamide?
5-bromo-1,3-dimethyl-2H-indole-3-carboxamide has a molecular weight of 269.14 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dimethyl-2H-indole-3-carboxamide is sourced from PubChem (CID 156818902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).