5-bromo-N,N,2-trimethyl-1H-indole-3-carboxamide

C12H13BrN2O — CID 65335394

IUPAC5-bromo-N,N,2-trimethyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(Br)cc2c1C(=O)N(C)C
InChIInChI=1S/C12H13BrN2O/c1-7-11(12(16)15(2)3)9-6-8(13)4-5-10(9)14-7/h4-6,14H,1-3H3
InChIKeyXETXQMAWWAUHSY-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.94
Rot. Bonds1

About 5-bromo-N,N,2-trimethyl-1H-indole-3-carboxamide

5-bromo-N,N,2-trimethyl-1H-indole-3-carboxamide (PubChem CID 65335394) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 5-bromo-N,N,2-trimethyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N,N,2-trimethyl-1H-indole-3-carboxamide
PubChem CID65335394
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name5-bromo-N,N,2-trimethyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(Br)cc2c1C(=O)N(C)C
InChIInChI=1S/C12H13BrN2O/c1-7-11(12(16)15(2)3)9-6-8(13)4-5-10(9)14-7/h4-6,14H,1-3H3
InChIKeyXETXQMAWWAUHSY-UHFFFAOYSA-N
XLogP2.94
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methoxy-N,N,2-trimethyl-1H-indole-3-carboxamide
CID 65335449
2-(5-bromo-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid
CID 82502343
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720
5-bromo-2-[[5-bromo-3-[methyl(phenyl)carbamoyl]-1H-indol-2-yl]disulfanyl]-N-methyl-N-phenyl-1H-indole-3-carboxamide
CID 57198621
2-[(5-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid
CID 110835915
N-(2,4-dibromophenyl)-N,2,3-trimethyl-1H-indole-5-carboxamide
CID 23474755
3-fluoro-N,N,2-trimethyl-1H-indole-5-carboxamide
CID 176934186
1-(5-bromo-3-methyl-1H-indol-2-yl)propan-2-one
CID 82667214
(2,4-dibromophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 107949694
1-(6-bromo-2-methyl-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane
CID 144993430
methyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate
CID 165344692
4-bromo-N,N-dimethyl-1H-indole-2-carboxamide
CID 66897930

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N,2-trimethyl-1H-indole-3-carboxamide?
The IUPAC name of 5-bromo-N,N,2-trimethyl-1H-indole-3-carboxamide (CID 65335394) is 5-bromo-N,N,2-trimethyl-1H-indole-3-carboxamide.
What is the SMILES notation for 5-bromo-N,N,2-trimethyl-1H-indole-3-carboxamide?
The canonical SMILES for 5-bromo-N,N,2-trimethyl-1H-indole-3-carboxamide is Cc1[nH]c2ccc(Br)cc2c1C(=O)N(C)C.
What is the InChIKey of 5-bromo-N,N,2-trimethyl-1H-indole-3-carboxamide?
The InChIKey is XETXQMAWWAUHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-7-11(12(16)15(2)3)9-6-8(13)4-5-10(9)14-7/h4-6,14H,1-3H3.
What are the key properties of 5-bromo-N,N,2-trimethyl-1H-indole-3-carboxamide?
5-bromo-N,N,2-trimethyl-1H-indole-3-carboxamide has a molecular weight of 281.15 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N,2-trimethyl-1H-indole-3-carboxamide is sourced from PubChem (CID 65335394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).