3-bromo-N,1-dimethylindole-6-carboxamide

C11H11BrN2O — CID 170838828

IUPAC3-bromo-N,1-dimethylindole-6-carboxamide
SMILESCNC(=O)c1ccc2c(Br)cn(C)c2c1
InChIInChI=1S/C11H11BrN2O/c1-13-11(15)7-3-4-8-9(12)6-14(2)10(8)5-7/h3-6H,1-2H3,(H,13,15)
InChIKeyMGRFHUXWCVTMNG-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.30
Rot. Bonds1

About 3-bromo-N,1-dimethylindole-6-carboxamide

3-bromo-N,1-dimethylindole-6-carboxamide (PubChem CID 170838828) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 3-bromo-N,1-dimethylindole-6-carboxamide.

Molecular Properties

Compound Name3-bromo-N,1-dimethylindole-6-carboxamide
PubChem CID170838828
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name3-bromo-N,1-dimethylindole-6-carboxamide
SMILESCNC(=O)c1ccc2c(Br)cn(C)c2c1
InChIInChI=1S/C11H11BrN2O/c1-13-11(15)7-3-4-8-9(12)6-14(2)10(8)5-7/h3-6H,1-2H3,(H,13,15)
InChIKeyMGRFHUXWCVTMNG-UHFFFAOYSA-N
XLogP2.30
TPSA34.03 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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-1-methylindol-6-yl)-N-methylmethanamine
CID 83900734
3-butan-2-yl-N-hydroxy-1-methylindole-6-carboxamide
CID 88937454
6-hydroxy-N,1-dimethylindole-3-carboxamide
CID 23572873
2-(3-bromo-1-methylindol-6-yl)acetaldehyde
CID 83900513
1,3-dimethylindole-5-carbohydrazide
CID 169299009
(4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116546991
3-bromo-1-methylindole
CID 13357736
N,1,5-trimethylindole-3-carboxamide
CID 25149961
methyl 3-bromo-6-fluoro-1-methylindole-5-carboxylate
CID 137376226
N,N,1,3-tetramethylindole-6-carboxamide
CID 122677737
1,4-dichloro-N-methylphthalazine-6-carboxamide
CID 118460869
3-N-methylpyrido[1,2-a]indole-3,10-dicarboxamide
CID 66667151

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,1-dimethylindole-6-carboxamide?
The IUPAC name of 3-bromo-N,1-dimethylindole-6-carboxamide (CID 170838828) is 3-bromo-N,1-dimethylindole-6-carboxamide.
What is the SMILES notation for 3-bromo-N,1-dimethylindole-6-carboxamide?
The canonical SMILES for 3-bromo-N,1-dimethylindole-6-carboxamide is CNC(=O)c1ccc2c(Br)cn(C)c2c1.
What is the InChIKey of 3-bromo-N,1-dimethylindole-6-carboxamide?
The InChIKey is MGRFHUXWCVTMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-13-11(15)7-3-4-8-9(12)6-14(2)10(8)5-7/h3-6H,1-2H3,(H,13,15).
What are the key properties of 3-bromo-N,1-dimethylindole-6-carboxamide?
3-bromo-N,1-dimethylindole-6-carboxamide has a molecular weight of 267.13 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,1-dimethylindole-6-carboxamide is sourced from PubChem (CID 170838828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).