1-[3-[(4-fluorophenyl)methyl]-1-methylindol-6-yl]ethanone

C18H16FNO — CID 67473797

IUPAC1-[3-[(4-fluorophenyl)methyl]-1-methylindol-6-yl]ethanone
SMILESCC(=O)c1ccc2c(Cc3ccc(F)cc3)cn(C)c2c1
InChIInChI=1S/C18H16FNO/c1-12(21)14-5-8-17-15(11-20(2)18(17)10-14)9-13-3-6-16(19)7-4-13/h3-8,10-11H,9H2,1-2H3
InChIKeyDRFMPXZABCBRNK-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.11
Rot. Bonds3

About 1-[3-[(4-fluorophenyl)methyl]-1-methylindol-6-yl]ethanone

1-[3-[(4-fluorophenyl)methyl]-1-methylindol-6-yl]ethanone (PubChem CID 67473797) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-[3-[(4-fluorophenyl)methyl]-1-methylindol-6-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(4-fluorophenyl)methyl]-1-methylindol-6-yl]ethanone
PubChem CID67473797
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name1-[3-[(4-fluorophenyl)methyl]-1-methylindol-6-yl]ethanone
SMILESCC(=O)c1ccc2c(Cc3ccc(F)cc3)cn(C)c2c1
InChIInChI=1S/C18H16FNO/c1-12(21)14-5-8-17-15(11-20(2)18(17)10-14)9-13-3-6-16(19)7-4-13/h3-8,10-11H,9H2,1-2H3
InChIKeyDRFMPXZABCBRNK-UHFFFAOYSA-N
XLogP4.11
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-[(4-fluorophenyl)methyl]-1-methylindol-6-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorophenyl)methyl]-1-methylindol-6-yl]ethanone?
The IUPAC name of 1-[3-[(4-fluorophenyl)methyl]-1-methylindol-6-yl]ethanone (CID 67473797) is 1-[3-[(4-fluorophenyl)methyl]-1-methylindol-6-yl]ethanone.
What is the SMILES notation for 1-[3-[(4-fluorophenyl)methyl]-1-methylindol-6-yl]ethanone?
The canonical SMILES for 1-[3-[(4-fluorophenyl)methyl]-1-methylindol-6-yl]ethanone is CC(=O)c1ccc2c(Cc3ccc(F)cc3)cn(C)c2c1.
What is the InChIKey of 1-[3-[(4-fluorophenyl)methyl]-1-methylindol-6-yl]ethanone?
The InChIKey is DRFMPXZABCBRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c1-12(21)14-5-8-17-15(11-20(2)18(17)10-14)9-13-3-6-16(19)7-4-13/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 1-[3-[(4-fluorophenyl)methyl]-1-methylindol-6-yl]ethanone?
1-[3-[(4-fluorophenyl)methyl]-1-methylindol-6-yl]ethanone has a molecular weight of 281.33 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorophenyl)methyl]-1-methylindol-6-yl]ethanone is sourced from PubChem (CID 67473797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).