N-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide

C17H15BrN2O2 — CID 113206671

IUPACN-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)Nc3ccc(Br)cc3C)c[nH]c2c1
InChIInChI=1S/C17H15BrN2O2/c1-10-7-11(18)3-6-15(10)20-17(21)14-9-19-16-8-12(22-2)4-5-13(14)16/h3-9,19H,1-2H3,(H,20,21)
InChIKeyQVAMTQQZYUQSPR-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.50
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide

N-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide (PubChem CID 113206671) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide
PubChem CID113206671
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC NameN-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)Nc3ccc(Br)cc3C)c[nH]c2c1
InChIInChI=1S/C17H15BrN2O2/c1-10-7-11(18)3-6-15(10)20-17(21)14-9-19-16-8-12(22-2)4-5-13(14)16/h3-9,19H,1-2H3,(H,20,21)
InChIKeyQVAMTQQZYUQSPR-UHFFFAOYSA-N
XLogP4.50
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide
CID 113206476
N-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206042
N-(3-chloro-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206624
N-(2-bromo-4-methylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206110
N-(4-methoxy-2-methylphenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717918
N-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206131
N-(4-bromo-2-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210875
N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206239
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206529
6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206647
N-(2,3-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206047

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide (CID 113206671) is N-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide is COc1ccc2c(C(=O)Nc3ccc(Br)cc3C)c[nH]c2c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide?
The InChIKey is QVAMTQQZYUQSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-10-7-11(18)3-6-15(10)20-17(21)14-9-19-16-8-12(22-2)4-5-13(14)16/h3-9,19H,1-2H3,(H,20,21).
What are the key properties of N-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide?
N-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide has a molecular weight of 359.22 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 113206671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).