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

C16H13BrN2O — CID 84543848

IUPACN-(3-bromo-5-methylphenyl)-1H-indole-3-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C16H13BrN2O/c1-10-6-11(17)8-12(7-10)19-16(20)14-9-18-15-5-3-2-4-13(14)15/h2-9,18H,1H3,(H,19,20)
InChIKeyVPEZNNPIALIZRK-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.49
Rot. Bonds2

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

N-(3-bromo-5-methylphenyl)-1H-indole-3-carboxamide (PubChem CID 84543848) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-1H-indole-3-carboxamide
PubChem CID84543848
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC NameN-(3-bromo-5-methylphenyl)-1H-indole-3-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C16H13BrN2O/c1-10-6-11(17)8-12(7-10)19-16(20)14-9-18-15-5-3-2-4-13(14)15/h2-9,18H,1H3,(H,19,20)
InChIKeyVPEZNNPIALIZRK-UHFFFAOYSA-N
XLogP4.49
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,5-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399253
N-(4-bromophenyl)-1H-indole-3-carboxamide
CID 43082523
N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399217
N-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide
CID 113205562
N-(4-phenylphenyl)-1H-indole-3-carboxamide
CID 17447542
N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39896040
N-(4-ethylphenyl)-1H-indole-3-carboxamide;molecular hydrogen
CID 159635618
N-(2-methoxy-4-methylphenyl)-1H-indole-3-carboxamide
CID 60933429
3-bromo-N-(1H-indol-3-ylmethyl)-5-methylaniline
CID 107582123
N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
CID 61221955
N-pyridin-3-yl-1H-indole-3-carboxamide
CID 43399328
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
CID 43989177

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-1H-indole-3-carboxamide (CID 84543848) is N-(3-bromo-5-methylphenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-1H-indole-3-carboxamide is Cc1cc(Br)cc(NC(=O)c2c[nH]c3ccccc23)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-1H-indole-3-carboxamide?
The InChIKey is VPEZNNPIALIZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-10-6-11(17)8-12(7-10)19-16(20)14-9-18-15-5-3-2-4-13(14)15/h2-9,18H,1H3,(H,19,20).
What are the key properties of N-(3-bromo-5-methylphenyl)-1H-indole-3-carboxamide?
N-(3-bromo-5-methylphenyl)-1H-indole-3-carboxamide has a molecular weight of 329.20 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 84543848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).