4-bromo-N,N-dimethyl-1H-indole-2-carboxamide

C11H11BrN2O — CID 66897930

IUPAC4-bromo-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(Br)cccc2[nH]1
InChIInChI=1S/C11H11BrN2O/c1-14(2)11(15)10-6-7-8(12)4-3-5-9(7)13-10/h3-6,13H,1-2H3
InChIKeyXPQMKIGBMSRARZ-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.63
Rot. Bonds1

About 4-bromo-N,N-dimethyl-1H-indole-2-carboxamide

4-bromo-N,N-dimethyl-1H-indole-2-carboxamide (PubChem CID 66897930) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 4-bromo-N,N-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N,N-dimethyl-1H-indole-2-carboxamide
PubChem CID66897930
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name4-bromo-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(Br)cccc2[nH]1
InChIInChI=1S/C11H11BrN2O/c1-14(2)11(15)10-6-7-8(12)4-3-5-9(7)13-10/h3-6,13H,1-2H3
InChIKeyXPQMKIGBMSRARZ-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

Analyze 4-bromo-N,N-dimethyl-1H-indole-2-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 4-bromo-N,N-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of 4-bromo-N,N-dimethyl-1H-indole-2-carboxamide (CID 66897930) is 4-bromo-N,N-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 4-bromo-N,N-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for 4-bromo-N,N-dimethyl-1H-indole-2-carboxamide is CN(C)C(=O)c1cc2c(Br)cccc2[nH]1.
What is the InChIKey of 4-bromo-N,N-dimethyl-1H-indole-2-carboxamide?
The InChIKey is XPQMKIGBMSRARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-14(2)11(15)10-6-7-8(12)4-3-5-9(7)13-10/h3-6,13H,1-2H3.
What are the key properties of 4-bromo-N,N-dimethyl-1H-indole-2-carboxamide?
4-bromo-N,N-dimethyl-1H-indole-2-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 4-bromo-N,N-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 66897930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).