1-bromo-2,3-dimethylindole-7-carboxamide

C11H11BrN2O — CID 174861144

IUPAC1-bromo-2,3-dimethylindole-7-carboxamide
SMILESCc1c(C)n(Br)c2c(C(N)=O)cccc12
InChIInChI=1S/C11H11BrN2O/c1-6-7(2)14(12)10-8(6)4-3-5-9(10)11(13)15/h3-5H,1-2H3,(H2,13,15)
InChIKeyNAMVGZMPSSNZCB-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.52
Rot. Bonds1

About 1-bromo-2,3-dimethylindole-7-carboxamide

1-bromo-2,3-dimethylindole-7-carboxamide (PubChem CID 174861144) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-bromo-2,3-dimethylindole-7-carboxamide.

Molecular Properties

Compound Name1-bromo-2,3-dimethylindole-7-carboxamide
PubChem CID174861144
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name1-bromo-2,3-dimethylindole-7-carboxamide
SMILESCc1c(C)n(Br)c2c(C(N)=O)cccc12
InChIInChI=1S/C11H11BrN2O/c1-6-7(2)14(12)10-8(6)4-3-5-9(10)11(13)15/h3-5H,1-2H3,(H2,13,15)
InChIKeyNAMVGZMPSSNZCB-UHFFFAOYSA-N
XLogP2.52
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,3-dimethylindole-7-carboxamide?
The IUPAC name of 1-bromo-2,3-dimethylindole-7-carboxamide (CID 174861144) is 1-bromo-2,3-dimethylindole-7-carboxamide.
What is the SMILES notation for 1-bromo-2,3-dimethylindole-7-carboxamide?
The canonical SMILES for 1-bromo-2,3-dimethylindole-7-carboxamide is Cc1c(C)n(Br)c2c(C(N)=O)cccc12.
What is the InChIKey of 1-bromo-2,3-dimethylindole-7-carboxamide?
The InChIKey is NAMVGZMPSSNZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-6-7(2)14(12)10-8(6)4-3-5-9(10)11(13)15/h3-5H,1-2H3,(H2,13,15).
What are the key properties of 1-bromo-2,3-dimethylindole-7-carboxamide?
1-bromo-2,3-dimethylindole-7-carboxamide has a molecular weight of 267.13 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,3-dimethylindole-7-carboxamide is sourced from PubChem (CID 174861144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).