N-(2-bromo-5-methoxyphenyl)-1H-indole-6-carboxamide

C16H13BrN2O2 — CID 62415637

IUPACN-(2-bromo-5-methoxyphenyl)-1H-indole-6-carboxamide
SMILESCOc1ccc(Br)c(NC(=O)c2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C16H13BrN2O2/c1-21-12-4-5-13(17)15(9-12)19-16(20)11-3-2-10-6-7-18-14(10)8-11/h2-9,18H,1H3,(H,19,20)
InChIKeyNJKFWOFTBODCOL-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.19
Rot. Bonds3

About N-(2-bromo-5-methoxyphenyl)-1H-indole-6-carboxamide

N-(2-bromo-5-methoxyphenyl)-1H-indole-6-carboxamide (PubChem CID 62415637) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)-1H-indole-6-carboxamide
PubChem CID62415637
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC NameN-(2-bromo-5-methoxyphenyl)-1H-indole-6-carboxamide
SMILESCOc1ccc(Br)c(NC(=O)c2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C16H13BrN2O2/c1-21-12-4-5-13(17)15(9-12)19-16(20)11-3-2-10-6-7-18-14(10)8-11/h2-9,18H,1H3,(H,19,20)
InChIKeyNJKFWOFTBODCOL-UHFFFAOYSA-N
XLogP4.19
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
CID 62416430
5-bromo-N-(2-bromo-5-methoxyphenyl)thiophene-3-carboxamide
CID 62415455
N-(2-bromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103956833
N-(2-bromo-4-chlorophenyl)-1H-indole-6-carboxamide
CID 81024878
N-(2-bromo-5-methoxyphenyl)-3-chloro-4-methylbenzamide
CID 63235634
N-(2-bromo-5-methoxyphenyl)-2-chloropyridine-4-carboxamide
CID 62415651
N-(2-bromo-5-chlorophenyl)-4-methoxybenzamide
CID 81271849
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159
methyl 4-(1H-indole-6-carbonylamino)benzoate
CID 46460139
N-(2-bromo-5-methoxyphenyl)-2-iodobenzamide
CID 62416238
N-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide
CID 62416612

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)-1H-indole-6-carboxamide?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)-1H-indole-6-carboxamide (CID 62415637) is N-(2-bromo-5-methoxyphenyl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)-1H-indole-6-carboxamide is COc1ccc(Br)c(NC(=O)c2ccc3cc[nH]c3c2)c1.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)-1H-indole-6-carboxamide?
The InChIKey is NJKFWOFTBODCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-21-12-4-5-13(17)15(9-12)19-16(20)11-3-2-10-6-7-18-14(10)8-11/h2-9,18H,1H3,(H,19,20).
What are the key properties of N-(2-bromo-5-methoxyphenyl)-1H-indole-6-carboxamide?
N-(2-bromo-5-methoxyphenyl)-1H-indole-6-carboxamide has a molecular weight of 345.20 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 62415637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).