N-(4-bromo-3,5-dimethylphenyl)-1H-indole-4-carboxamide

C17H15BrN2O — CID 107575074

IUPACN-(4-bromo-3,5-dimethylphenyl)-1H-indole-4-carboxamide
SMILESCc1cc(NC(=O)c2cccc3[nH]ccc23)cc(C)c1Br
InChIInChI=1S/C17H15BrN2O/c1-10-8-12(9-11(2)16(10)18)20-17(21)14-4-3-5-15-13(14)6-7-19-15/h3-9,19H,1-2H3,(H,20,21)
InChIKeyADUXOPIDAZHCPG-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.80
Rot. Bonds2

About N-(4-bromo-3,5-dimethylphenyl)-1H-indole-4-carboxamide

N-(4-bromo-3,5-dimethylphenyl)-1H-indole-4-carboxamide (PubChem CID 107575074) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-1H-indole-4-carboxamide
PubChem CID107575074
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-1H-indole-4-carboxamide
SMILESCc1cc(NC(=O)c2cccc3[nH]ccc23)cc(C)c1Br
InChIInChI=1S/C17H15BrN2O/c1-10-8-12(9-11(2)16(10)18)20-17(21)14-4-3-5-15-13(14)6-7-19-15/h3-9,19H,1-2H3,(H,20,21)
InChIKeyADUXOPIDAZHCPG-UHFFFAOYSA-N
XLogP4.80
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-1H-indole-4-carboxamide
CID 43582014
N-(3,5-difluorophenyl)-1H-indole-4-carboxamide
CID 43582668
N-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide
CID 43582392
N-(3-bromo-4-fluorophenyl)-1H-indole-4-carboxamide
CID 115672322
N-(4,6-dimethylpyrimidin-2-yl)-1H-indole-4-carboxamide
CID 43582943
N-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide
CID 43617232
3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide
CID 107575045
N-(5-fluoro-2-methylphenyl)-1H-indole-4-carboxamide
CID 43582640
N-(4-bromo-2-chlorophenyl)-1H-indole-4-carboxamide
CID 43582829
N-(4-chloro-3-fluorophenyl)-1H-indole-4-carboxamide
CID 61274358
N-(5-bromo-2-pyridinyl)-1H-indole-4-carboxamide
CID 43583044
N-(2,6-dichlorophenyl)-1H-indole-4-carboxamide
CID 65499059

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-1H-indole-4-carboxamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-1H-indole-4-carboxamide (CID 107575074) is N-(4-bromo-3,5-dimethylphenyl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-1H-indole-4-carboxamide is Cc1cc(NC(=O)c2cccc3[nH]ccc23)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-1H-indole-4-carboxamide?
The InChIKey is ADUXOPIDAZHCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-10-8-12(9-11(2)16(10)18)20-17(21)14-4-3-5-15-13(14)6-7-19-15/h3-9,19H,1-2H3,(H,20,21).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-1H-indole-4-carboxamide?
N-(4-bromo-3,5-dimethylphenyl)-1H-indole-4-carboxamide has a molecular weight of 343.22 g/mol, XLogP of 4.80, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-1H-indole-4-carboxamide is sourced from PubChem (CID 107575074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).