3-(5-fluoroindol-1-yl)-2-methylpropanamide

C12H13FN2O — CID 63850136

IUPAC3-(5-fluoroindol-1-yl)-2-methylpropanamide
SMILESCC(Cn1ccc2cc(F)ccc21)C(N)=O
InChIInChI=1S/C12H13FN2O/c1-8(12(14)16)7-15-5-4-9-6-10(13)2-3-11(9)15/h2-6,8H,7H2,1H3,(H2,14,16)
InChIKeyCYERRSWVCOFJHA-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.90
Rot. Bonds3

About 3-(5-fluoroindol-1-yl)-2-methylpropanamide

3-(5-fluoroindol-1-yl)-2-methylpropanamide (PubChem CID 63850136) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-(5-fluoroindol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(5-fluoroindol-1-yl)-2-methylpropanamide
PubChem CID63850136
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name3-(5-fluoroindol-1-yl)-2-methylpropanamide
SMILESCC(Cn1ccc2cc(F)ccc21)C(N)=O
InChIInChI=1S/C12H13FN2O/c1-8(12(14)16)7-15-5-4-9-6-10(13)2-3-11(9)15/h2-6,8H,7H2,1H3,(H2,14,16)
InChIKeyCYERRSWVCOFJHA-UHFFFAOYSA-N
XLogP1.90
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-fluoroindol-1-yl)-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-chloroindol-1-yl)-2-methylpropanamide
CID 116623102
3-indol-1-yl-2-methylpropanamide
CID 63811423
(2S)-1-(5-fluoroindol-1-yl)propan-2-ol
CID 54045711
3-(5-cyanoindol-1-yl)-2-methylpropanamide
CID 107920443
1-(5-fluoroindol-1-yl)-3-methylbutan-2-one
CID 79395580
2-(5-fluoroindol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 63850467
1-(6-fluoroindol-1-yl)propan-2-ol
CID 10488020
5-fluoro-1-(2-propan-2-yloxyethyl)indole
CID 55258510
bis[(2R)-2-amino-1-(5-fluoroindol-1-yl)propan-2-yl] (E)-but-2-enedioate
CID 67737578
5-(5-fluoroindol-1-yl)-2,2-dimethylpentanoic acid
CID 65255255
4-(5-fluoroindol-1-yl)-1-phenylbutan-1-one
CID 63851293
2-(5-fluoroindol-1-yl)-1-(3-fluorophenyl)ethanone
CID 63851474

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoroindol-1-yl)-2-methylpropanamide?
The IUPAC name of 3-(5-fluoroindol-1-yl)-2-methylpropanamide (CID 63850136) is 3-(5-fluoroindol-1-yl)-2-methylpropanamide.
What is the SMILES notation for 3-(5-fluoroindol-1-yl)-2-methylpropanamide?
The canonical SMILES for 3-(5-fluoroindol-1-yl)-2-methylpropanamide is CC(Cn1ccc2cc(F)ccc21)C(N)=O.
What is the InChIKey of 3-(5-fluoroindol-1-yl)-2-methylpropanamide?
The InChIKey is CYERRSWVCOFJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-8(12(14)16)7-15-5-4-9-6-10(13)2-3-11(9)15/h2-6,8H,7H2,1H3,(H2,14,16).
What are the key properties of 3-(5-fluoroindol-1-yl)-2-methylpropanamide?
3-(5-fluoroindol-1-yl)-2-methylpropanamide has a molecular weight of 220.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoroindol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 63850136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).