4-(3-acetyl-7-fluoroindol-1-yl)butanamide

C14H15FN2O2 — CID 117098786

IUPAC4-(3-acetyl-7-fluoroindol-1-yl)butanamide
SMILESCC(=O)c1cn(CCCC(N)=O)c2c(F)cccc12
InChIInChI=1S/C14H15FN2O2/c1-9(18)11-8-17(7-3-6-13(16)19)14-10(11)4-2-5-12(14)15/h2,4-5,8H,3,6-7H2,1H3,(H2,16,19)
InChIKeyWUWQIQVQFDYDFR-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.25
Rot. Bonds5

About 4-(3-acetyl-7-fluoroindol-1-yl)butanamide

4-(3-acetyl-7-fluoroindol-1-yl)butanamide (PubChem CID 117098786) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-(3-acetyl-7-fluoroindol-1-yl)butanamide.

Molecular Properties

Compound Name4-(3-acetyl-7-fluoroindol-1-yl)butanamide
PubChem CID117098786
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name4-(3-acetyl-7-fluoroindol-1-yl)butanamide
SMILESCC(=O)c1cn(CCCC(N)=O)c2c(F)cccc12
InChIInChI=1S/C14H15FN2O2/c1-9(18)11-8-17(7-3-6-13(16)19)14-10(11)4-2-5-12(14)15/h2,4-5,8H,3,6-7H2,1H3,(H2,16,19)
InChIKeyWUWQIQVQFDYDFR-UHFFFAOYSA-N
XLogP2.25
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-acetyl-7-fluoroindol-1-yl)butanamide?
The IUPAC name of 4-(3-acetyl-7-fluoroindol-1-yl)butanamide (CID 117098786) is 4-(3-acetyl-7-fluoroindol-1-yl)butanamide.
What is the SMILES notation for 4-(3-acetyl-7-fluoroindol-1-yl)butanamide?
The canonical SMILES for 4-(3-acetyl-7-fluoroindol-1-yl)butanamide is CC(=O)c1cn(CCCC(N)=O)c2c(F)cccc12.
What is the InChIKey of 4-(3-acetyl-7-fluoroindol-1-yl)butanamide?
The InChIKey is WUWQIQVQFDYDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-9(18)11-8-17(7-3-6-13(16)19)14-10(11)4-2-5-12(14)15/h2,4-5,8H,3,6-7H2,1H3,(H2,16,19).
What are the key properties of 4-(3-acetyl-7-fluoroindol-1-yl)butanamide?
4-(3-acetyl-7-fluoroindol-1-yl)butanamide has a molecular weight of 262.28 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetyl-7-fluoroindol-1-yl)butanamide is sourced from PubChem (CID 117098786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).