5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide

C18H17FN2O2 — CID 113204627

IUPAC5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1[nH]c2ccc(F)cc2c1C
InChIInChI=1S/C18H17FN2O2/c1-10-4-7-16(23-3)15(8-10)21-18(22)17-11(2)13-9-12(19)5-6-14(13)20-17/h4-9,20H,1-3H3,(H,21,22)
InChIKeyWNJDVCFYJRJKER-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.18
Rot. Bonds3

About 5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide

5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide (PubChem CID 113204627) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
PubChem CID113204627
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1[nH]c2ccc(F)cc2c1C
InChIInChI=1S/C18H17FN2O2/c1-10-4-7-16(23-3)15(8-10)21-18(22)17-11(2)13-9-12(19)5-6-14(13)20-17/h4-9,20H,1-3H3,(H,21,22)
InChIKeyWNJDVCFYJRJKER-UHFFFAOYSA-N
XLogP4.18
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.18
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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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113204660
5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide
CID 113204658
6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113205343
N-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578289
N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204283
5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204787
N-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578341
3-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19514461
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
5-fluoro-3-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 113204635
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44998456
2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
CID 113208672

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide (CID 113204627) is 5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide is COc1ccc(C)cc1NC(=O)c1[nH]c2ccc(F)cc2c1C.
What is the InChIKey of 5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide?
The InChIKey is WNJDVCFYJRJKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-10-4-7-16(23-3)15(8-10)21-18(22)17-11(2)13-9-12(19)5-6-14(13)20-17/h4-9,20H,1-3H3,(H,21,22).
What are the key properties of 5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide?
5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide has a molecular weight of 312.34 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113204627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).