6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide

C17H15FN2O2 — CID 110860042

IUPAC6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C17H15FN2O2/c1-10-16(14-8-3-11(18)9-15(14)19-10)17(21)20-12-4-6-13(22-2)7-5-12/h3-9,19H,1-2H3,(H,20,21)
InChIKeyVWWRESWOKGRNGF-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.88
Rot. Bonds3

About 6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide

6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide (PubChem CID 110860042) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
PubChem CID110860042
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C17H15FN2O2/c1-10-16(14-8-3-11(18)9-15(14)19-10)17(21)20-12-4-6-13(22-2)7-5-12/h3-9,19H,1-2H3,(H,20,21)
InChIKeyVWWRESWOKGRNGF-UHFFFAOYSA-N
XLogP3.88
TPSA54.12 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 ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethoxyphenyl)-6-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110860582
6-fluoro-N-(2-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110859831
(4-fluorophenyl)-(6-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 154187614
6-fluoro-N-(2-methoxyethyl)-2-methyl-1H-indole-3-carboxamide
CID 110849220
6-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 82402312
2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 1014494
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
2,5,6-trimethyl-N-(4-methylphenyl)-1H-indole-3-carboxamide
CID 135016973
5-fluoro-2-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1H-indole-3-carboxamide
CID 110613684
2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 9191814
N-(4-methoxyphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110860112
N-(2,5-dimethoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110762508

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of 6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide (CID 110860042) is 6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide is COc1ccc(NC(=O)c2c(C)[nH]c3cc(F)ccc23)cc1.
What is the InChIKey of 6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide?
The InChIKey is VWWRESWOKGRNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-10-16(14-8-3-11(18)9-15(14)19-10)17(21)20-12-4-6-13(22-2)7-5-12/h3-9,19H,1-2H3,(H,20,21).
What are the key properties of 6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide?
6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 110860042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).