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

C16H12BrFN2O — CID 113205741

IUPACN-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
SMILESCc1ccc(NC(=O)c2c[nH]c3ccc(F)cc23)c(Br)c1
InChIInChI=1S/C16H12BrFN2O/c1-9-2-4-15(13(17)6-9)20-16(21)12-8-19-14-5-3-10(18)7-11(12)14/h2-8,19H,1H3,(H,20,21)
InChIKeyJDLNKQBHGGYQNN-UHFFFAOYSA-N
MW347.19 g/mol
LogP4.63
Rot. Bonds2

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

N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide (PubChem CID 113205741) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
PubChem CID113205741
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC NameN-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
SMILESCc1ccc(NC(=O)c2c[nH]c3ccc(F)cc23)c(Br)c1
InChIInChI=1S/C16H12BrFN2O/c1-9-2-4-15(13(17)6-9)20-16(21)12-8-19-14-5-3-10(18)7-11(12)14/h2-8,19H,1H3,(H,20,21)
InChIKeyJDLNKQBHGGYQNN-UHFFFAOYSA-N
XLogP4.63
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-carboxamide
CID 63116424
N-(2-bromo-4-methylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206110
N-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
CID 113205698
N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206239
(2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81109626
2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide
CID 43245616
5-chloro-N-(2,4-difluorophenyl)-1H-indole-3-carboxamide
CID 113205928
N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849781
N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207178
N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62509154
N-(3-bromo-4-methylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208138
N-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206042

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide (CID 113205741) is N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide is Cc1ccc(NC(=O)c2c[nH]c3ccc(F)cc23)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide?
The InChIKey is JDLNKQBHGGYQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c1-9-2-4-15(13(17)6-9)20-16(21)12-8-19-14-5-3-10(18)7-11(12)14/h2-8,19H,1H3,(H,20,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide?
N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide has a molecular weight of 347.19 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide is sourced from PubChem (CID 113205741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).