4-bromo-N-methoxy-N-methyl-1H-indole-6-carboxamide

C11H11BrN2O2 — CID 138562338

IUPAC4-bromo-N-methoxy-N-methyl-1H-indole-6-carboxamide
SMILESCON(C)C(=O)c1cc(Br)c2cc[nH]c2c1
InChIInChI=1S/C11H11BrN2O2/c1-14(16-2)11(15)7-5-9(12)8-3-4-13-10(8)6-7/h3-6,13H,1-2H3
InChIKeyKQRVZKZJMRTACB-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.56
Rot. Bonds2

About 4-bromo-N-methoxy-N-methyl-1H-indole-6-carboxamide

4-bromo-N-methoxy-N-methyl-1H-indole-6-carboxamide (PubChem CID 138562338) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 4-bromo-N-methoxy-N-methyl-1H-indole-6-carboxamide.

Molecular Properties

Compound Name4-bromo-N-methoxy-N-methyl-1H-indole-6-carboxamide
PubChem CID138562338
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name4-bromo-N-methoxy-N-methyl-1H-indole-6-carboxamide
SMILESCON(C)C(=O)c1cc(Br)c2cc[nH]c2c1
InChIInChI=1S/C11H11BrN2O2/c1-14(16-2)11(15)7-5-9(12)8-3-4-13-10(8)6-7/h3-6,13H,1-2H3
InChIKeyKQRVZKZJMRTACB-UHFFFAOYSA-N
XLogP2.56
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methoxy-N-methyl-1H-indole-6-carboxamide?
The IUPAC name of 4-bromo-N-methoxy-N-methyl-1H-indole-6-carboxamide (CID 138562338) is 4-bromo-N-methoxy-N-methyl-1H-indole-6-carboxamide.
What is the SMILES notation for 4-bromo-N-methoxy-N-methyl-1H-indole-6-carboxamide?
The canonical SMILES for 4-bromo-N-methoxy-N-methyl-1H-indole-6-carboxamide is CON(C)C(=O)c1cc(Br)c2cc[nH]c2c1.
What is the InChIKey of 4-bromo-N-methoxy-N-methyl-1H-indole-6-carboxamide?
The InChIKey is KQRVZKZJMRTACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-14(16-2)11(15)7-5-9(12)8-3-4-13-10(8)6-7/h3-6,13H,1-2H3.
What are the key properties of 4-bromo-N-methoxy-N-methyl-1H-indole-6-carboxamide?
4-bromo-N-methoxy-N-methyl-1H-indole-6-carboxamide has a molecular weight of 283.12 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methoxy-N-methyl-1H-indole-6-carboxamide is sourced from PubChem (CID 138562338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).