5-fluoro-7-(4-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide

C17H15FN2O2 — CID 91664344

IUPAC5-fluoro-7-(4-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc(-c2cc(F)cc3c(C)c(C(N)=O)[nH]c23)cc1
InChIInChI=1S/C17H15FN2O2/c1-9-13-7-11(18)8-14(16(13)20-15(9)17(19)21)10-3-5-12(22-2)6-4-10/h3-8,20H,1-2H3,(H2,19,21)
InChIKeyGNAWZELZTILKTM-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.39
Rot. Bonds3

About 5-fluoro-7-(4-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide

5-fluoro-7-(4-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide (PubChem CID 91664344) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 5-fluoro-7-(4-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-7-(4-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
PubChem CID91664344
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name5-fluoro-7-(4-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc(-c2cc(F)cc3c(C)c(C(N)=O)[nH]c23)cc1
InChIInChI=1S/C17H15FN2O2/c1-9-13-7-11(18)8-14(16(13)20-15(9)17(19)21)10-3-5-12(22-2)6-4-10/h3-8,20H,1-2H3,(H2,19,21)
InChIKeyGNAWZELZTILKTM-UHFFFAOYSA-N
XLogP3.39
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-(4-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-7-(4-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide (CID 91664344) is 5-fluoro-7-(4-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-7-(4-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-7-(4-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide is COc1ccc(-c2cc(F)cc3c(C)c(C(N)=O)[nH]c23)cc1.
What is the InChIKey of 5-fluoro-7-(4-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide?
The InChIKey is GNAWZELZTILKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-9-13-7-11(18)8-14(16(13)20-15(9)17(19)21)10-3-5-12(22-2)6-4-10/h3-8,20H,1-2H3,(H2,19,21).
What are the key properties of 5-fluoro-7-(4-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide?
5-fluoro-7-(4-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-(4-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 91664344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).