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

C13H15FN2O2 — CID 110849220

IUPAC6-fluoro-N-(2-methoxyethyl)-2-methyl-1H-indole-3-carboxamide
SMILESCOCCNC(=O)c1c(C)[nH]c2cc(F)ccc12
InChIInChI=1S/C13H15FN2O2/c1-8-12(13(17)15-5-6-18-2)10-4-3-9(14)7-11(10)16-8/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyYJFQFBZDWQVOTB-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.99
Rot. Bonds4

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

6-fluoro-N-(2-methoxyethyl)-2-methyl-1H-indole-3-carboxamide (PubChem CID 110849220) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 6-fluoro-N-(2-methoxyethyl)-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-methoxyethyl)-2-methyl-1H-indole-3-carboxamide
PubChem CID110849220
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name6-fluoro-N-(2-methoxyethyl)-2-methyl-1H-indole-3-carboxamide
SMILESCOCCNC(=O)c1c(C)[nH]c2cc(F)ccc12
InChIInChI=1S/C13H15FN2O2/c1-8-12(13(17)15-5-6-18-2)10-4-3-9(14)7-11(10)16-8/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyYJFQFBZDWQVOTB-UHFFFAOYSA-N
XLogP1.99
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-6-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110848225
6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110860042
6-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 82402312
6-fluoro-N-(2-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110859831
N-(2,4-dimethoxyphenyl)-6-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110860582
5-fluoro-N-[2-(2-hydroxyphenyl)ethyl]-2-methyl-1H-indole-3-carboxamide
CID 110614865
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
5-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]-1H-indole-3-carboxamide
CID 110606781
(4-fluorophenyl)-(6-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 154187614
2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 110700233
2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide
CID 47465669
N-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110625091

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-methoxyethyl)-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of 6-fluoro-N-(2-methoxyethyl)-2-methyl-1H-indole-3-carboxamide (CID 110849220) is 6-fluoro-N-(2-methoxyethyl)-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-methoxyethyl)-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-methoxyethyl)-2-methyl-1H-indole-3-carboxamide is COCCNC(=O)c1c(C)[nH]c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-N-(2-methoxyethyl)-2-methyl-1H-indole-3-carboxamide?
The InChIKey is YJFQFBZDWQVOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-8-12(13(17)15-5-6-18-2)10-4-3-9(14)7-11(10)16-8/h3-4,7,16H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 6-fluoro-N-(2-methoxyethyl)-2-methyl-1H-indole-3-carboxamide?
6-fluoro-N-(2-methoxyethyl)-2-methyl-1H-indole-3-carboxamide has a molecular weight of 250.27 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-methoxyethyl)-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 110849220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).