3-bromo-1-methyl-N-[2-(2-methylphenyl)ethyl]indole-2-carboxamide

C19H19BrN2O — CID 55662850

IUPAC3-bromo-1-methyl-N-[2-(2-methylphenyl)ethyl]indole-2-carboxamide
SMILESCc1ccccc1CCNC(=O)c1c(Br)c2ccccc2n1C
InChIInChI=1S/C19H19BrN2O/c1-13-7-3-4-8-14(13)11-12-21-19(23)18-17(20)15-9-5-6-10-16(15)22(18)2/h3-10H,11-12H2,1-2H3,(H,21,23)
InChIKeyXSDPEQWFIJOQQW-UHFFFAOYSA-N
MW371.28 g/mol
LogP4.22
Rot. Bonds4

About 3-bromo-1-methyl-N-[2-(2-methylphenyl)ethyl]indole-2-carboxamide

3-bromo-1-methyl-N-[2-(2-methylphenyl)ethyl]indole-2-carboxamide (PubChem CID 55662850) has the molecular formula C19H19BrN2O and a molecular weight of 371.28 g/mol. Its IUPAC name is 3-bromo-1-methyl-N-[2-(2-methylphenyl)ethyl]indole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-1-methyl-N-[2-(2-methylphenyl)ethyl]indole-2-carboxamide
PubChem CID55662850
Molecular FormulaC19H19BrN2O
Molecular Weight371.28 g/mol
Exact Mass370.07
IUPAC Name3-bromo-1-methyl-N-[2-(2-methylphenyl)ethyl]indole-2-carboxamide
SMILESCc1ccccc1CCNC(=O)c1c(Br)c2ccccc2n1C
InChIInChI=1S/C19H19BrN2O/c1-13-7-3-4-8-14(13)11-12-21-19(23)18-17(20)15-9-5-6-10-16(15)22(18)2/h3-10H,11-12H2,1-2H3,(H,21,23)
InChIKeyXSDPEQWFIJOQQW-UHFFFAOYSA-N
XLogP4.22
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(2-fluorophenyl)methyl]-1-methylindole-2-carboxamide
CID 46435391
3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 46435379
3-bromo-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-methylindole-2-carboxamide
CID 46490443
3-bromo-N-[2-(dimethylamino)-2-methylpropyl]-1-methylindole-2-carboxamide
CID 71889789
3-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide
CID 46493490
3-bromo-1-methylindole-2-carboxylic acid
CID 15290332
3-bromo-1-methyl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]indole-2-carboxamide
CID 52538277
4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide
CID 79756140
3-bromo-N-(2-hydroxyphenyl)-1-methylindole-2-carboxamide
CID 46435355
3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide
CID 115180788
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
3-bromo-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 107519142

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-N-[2-(2-methylphenyl)ethyl]indole-2-carboxamide?
The IUPAC name of 3-bromo-1-methyl-N-[2-(2-methylphenyl)ethyl]indole-2-carboxamide (CID 55662850) is 3-bromo-1-methyl-N-[2-(2-methylphenyl)ethyl]indole-2-carboxamide.
What is the SMILES notation for 3-bromo-1-methyl-N-[2-(2-methylphenyl)ethyl]indole-2-carboxamide?
The canonical SMILES for 3-bromo-1-methyl-N-[2-(2-methylphenyl)ethyl]indole-2-carboxamide is Cc1ccccc1CCNC(=O)c1c(Br)c2ccccc2n1C.
What is the InChIKey of 3-bromo-1-methyl-N-[2-(2-methylphenyl)ethyl]indole-2-carboxamide?
The InChIKey is XSDPEQWFIJOQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O/c1-13-7-3-4-8-14(13)11-12-21-19(23)18-17(20)15-9-5-6-10-16(15)22(18)2/h3-10H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 3-bromo-1-methyl-N-[2-(2-methylphenyl)ethyl]indole-2-carboxamide?
3-bromo-1-methyl-N-[2-(2-methylphenyl)ethyl]indole-2-carboxamide has a molecular weight of 371.28 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-N-[2-(2-methylphenyl)ethyl]indole-2-carboxamide is sourced from PubChem (CID 55662850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).