N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide

C17H15FN2O — CID 113206239

IUPACN-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide
SMILESCc1ccc(NC(=O)c2c[nH]c3cc(F)ccc23)c(C)c1
InChIInChI=1S/C17H15FN2O/c1-10-3-6-15(11(2)7-10)20-17(21)14-9-19-16-8-12(18)4-5-13(14)16/h3-9,19H,1-2H3,(H,20,21)
InChIKeyQKRUZFHGUVUTRH-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.18
Rot. Bonds2

About N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide

N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide (PubChem CID 113206239) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide
PubChem CID113206239
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC NameN-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide
SMILESCc1ccc(NC(=O)c2c[nH]c3cc(F)ccc23)c(C)c1
InChIInChI=1S/C17H15FN2O/c1-10-3-6-15(11(2)7-10)20-17(21)14-9-19-16-8-12(18)4-5-13(14)16/h3-9,19H,1-2H3,(H,20,21)
InChIKeyQKRUZFHGUVUTRH-UHFFFAOYSA-N
XLogP4.18
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163503
N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
CID 113205741
N-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208638
N-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
CID 113205698
N-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206270
N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206264
N-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206042
6-fluoro-1H-indole-3-carbohydrazide
CID 129321028
N-(2-ethoxyphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206274
N-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide
CID 113206476
N-(4-chlorophenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206260
N-(2,6-diethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206252

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide (CID 113206239) is N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide is Cc1ccc(NC(=O)c2c[nH]c3cc(F)ccc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide?
The InChIKey is QKRUZFHGUVUTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-10-3-6-15(11(2)7-10)20-17(21)14-9-19-16-8-12(18)4-5-13(14)16/h3-9,19H,1-2H3,(H,20,21).
What are the key properties of N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide?
N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide has a molecular weight of 282.32 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide is sourced from PubChem (CID 113206239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).