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

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Related Compounds

4-ethyl-N,N-dimethyl-1H-indole-2-carboxamide
CID 176933500
N,N-dimethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47120436
N-(2-amino-2-oxoethyl)-4-bromo-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide
CID 86878992
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
CID 55580692
4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide
CID 109388525
3-[(4-fluoro-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 119228216
4-bromo-2-chloro-1H-indole
CID 19700309
(4-bromo-1H-indol-2-yl) ethyl carbonate
CID 129158532
4-(aminomethyl)-N-carbamimidoyl-N-methyl-1H-indole-2-carboxamide
CID 54304465
3-bromo-2-fluoro-N,N-dimethylbenzamide
CID 59375042
5-bromo-N,N,2-trimethyl-1H-indole-3-carboxamide
CID 65335394
4-bromo-N-(3-methyloxan-3-yl)-1H-indole-2-carboxamide
CID 146125241

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).