N-(2-bromo-4-methylphenyl)-5-methoxy-1H-indole-3-carboxamide

C17H15BrN2O2 — CID 113206110

IUPACN-(2-bromo-4-methylphenyl)-5-methoxy-1H-indole-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)Nc3ccc(C)cc3Br)c2c1
InChIInChI=1S/C17H15BrN2O2/c1-10-3-5-16(14(18)7-10)20-17(21)13-9-19-15-6-4-11(22-2)8-12(13)15/h3-9,19H,1-2H3,(H,20,21)
InChIKeyQOLVKQKNMKFKSW-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.50
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-5-methoxy-1H-indole-3-carboxamide

N-(2-bromo-4-methylphenyl)-5-methoxy-1H-indole-3-carboxamide (PubChem CID 113206110) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-5-methoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-5-methoxy-1H-indole-3-carboxamide
PubChem CID113206110
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC NameN-(2-bromo-4-methylphenyl)-5-methoxy-1H-indole-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)Nc3ccc(C)cc3Br)c2c1
InChIInChI=1S/C17H15BrN2O2/c1-10-3-5-16(14(18)7-10)20-17(21)13-9-19-15-6-4-11(22-2)8-12(13)15/h3-9,19H,1-2H3,(H,20,21)
InChIKeyQOLVKQKNMKFKSW-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-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206042
N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
CID 113205741
5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-carboxamide
CID 63116424
5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide
CID 113206039
N-(2-bromo-4-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210874
N-(2-bromo-4-methylphenyl)-2-hydroxy-5-methoxybenzamide
CID 60715660
N-(2,3-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206047
N-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206131
N-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206671
6-methoxy-N-(4-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 43831865
5-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113206118
N-(4-chlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206063

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-5-methoxy-1H-indole-3-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-5-methoxy-1H-indole-3-carboxamide (CID 113206110) is N-(2-bromo-4-methylphenyl)-5-methoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-5-methoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-5-methoxy-1H-indole-3-carboxamide is COc1ccc2[nH]cc(C(=O)Nc3ccc(C)cc3Br)c2c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-5-methoxy-1H-indole-3-carboxamide?
The InChIKey is QOLVKQKNMKFKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-10-3-5-16(14(18)7-10)20-17(21)13-9-19-15-6-4-11(22-2)8-12(13)15/h3-9,19H,1-2H3,(H,20,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-5-methoxy-1H-indole-3-carboxamide?
N-(2-bromo-4-methylphenyl)-5-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-(2-bromo-4-methylphenyl)-5-methoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 113206110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).