4-(5-fluoro-1H-indol-3-yl)-N-methylbutanamide

C13H15FN2O — CID 19696832

IUPAC4-(5-fluoro-1H-indol-3-yl)-N-methylbutanamide
SMILESCNC(=O)CCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H15FN2O/c1-15-13(17)4-2-3-9-8-16-12-6-5-10(14)7-11(9)12/h5-8,16H,2-4H2,1H3,(H,15,17)
InChIKeyPHWKGWFNQVQFGG-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.38
Rot. Bonds4

About 4-(5-fluoro-1H-indol-3-yl)-N-methylbutanamide

4-(5-fluoro-1H-indol-3-yl)-N-methylbutanamide (PubChem CID 19696832) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 4-(5-fluoro-1H-indol-3-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(5-fluoro-1H-indol-3-yl)-N-methylbutanamide
PubChem CID19696832
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name4-(5-fluoro-1H-indol-3-yl)-N-methylbutanamide
SMILESCNC(=O)CCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H15FN2O/c1-15-13(17)4-2-3-9-8-16-12-6-5-10(14)7-11(9)12/h5-8,16H,2-4H2,1H3,(H,15,17)
InChIKeyPHWKGWFNQVQFGG-UHFFFAOYSA-N
XLogP2.38
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1H-indol-3-yl)-N-methylbutanamide?
The IUPAC name of 4-(5-fluoro-1H-indol-3-yl)-N-methylbutanamide (CID 19696832) is 4-(5-fluoro-1H-indol-3-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(5-fluoro-1H-indol-3-yl)-N-methylbutanamide?
The canonical SMILES for 4-(5-fluoro-1H-indol-3-yl)-N-methylbutanamide is CNC(=O)CCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 4-(5-fluoro-1H-indol-3-yl)-N-methylbutanamide?
The InChIKey is PHWKGWFNQVQFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-15-13(17)4-2-3-9-8-16-12-6-5-10(14)7-11(9)12/h5-8,16H,2-4H2,1H3,(H,15,17).
What are the key properties of 4-(5-fluoro-1H-indol-3-yl)-N-methylbutanamide?
4-(5-fluoro-1H-indol-3-yl)-N-methylbutanamide has a molecular weight of 234.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1H-indol-3-yl)-N-methylbutanamide is sourced from PubChem (CID 19696832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).