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

C16H12BrFN2O — CID 113206270

IUPACN-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
SMILESCc1ccc(NC(=O)c2c[nH]c3cc(F)ccc23)cc1Br
InChIInChI=1S/C16H12BrFN2O/c1-9-2-4-11(7-14(9)17)20-16(21)13-8-19-15-6-10(18)3-5-12(13)15/h2-8,19H,1H3,(H,20,21)
InChIKeyRAJNPHTYESSRGQ-UHFFFAOYSA-N
MW347.19 g/mol
LogP4.63
Rot. Bonds2

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

N-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide (PubChem CID 113206270) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
PubChem CID113206270
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC NameN-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
SMILESCc1ccc(NC(=O)c2c[nH]c3cc(F)ccc23)cc1Br
InChIInChI=1S/C16H12BrFN2O/c1-9-2-4-11(7-14(9)17)20-16(21)13-8-19-15-6-10(18)3-5-12(13)15/h2-8,19H,1H3,(H,20,21)
InChIKeyRAJNPHTYESSRGQ-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

N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206264
N-(3-bromo-4-methylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208138
N-(4-chlorophenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206260
6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206284
N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206239
6-fluoro-1H-indole-3-carbohydrazide
CID 129321028
N-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209477
6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide
CID 113206297
N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399217
N-(3,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208640
N-(2,6-diethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206252
N-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208638

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide (CID 113206270) is N-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide is Cc1ccc(NC(=O)c2c[nH]c3cc(F)ccc23)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide?
The InChIKey is RAJNPHTYESSRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c1-9-2-4-11(7-14(9)17)20-16(21)13-8-19-15-6-10(18)3-5-12(13)15/h2-8,19H,1H3,(H,20,21).
What are the key properties of N-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide?
N-(3-bromo-4-methylphenyl)-6-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-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide is sourced from PubChem (CID 113206270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).