1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone

C18H16FNO2 — CID 11580237

IUPAC1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone
SMILESCOc1ccc2c(c1)c(C(C)=O)cn2Cc1ccc(F)cc1
InChIInChI=1S/C18H16FNO2/c1-12(21)17-11-20(10-13-3-5-14(19)6-4-13)18-8-7-15(22-2)9-16(17)18/h3-9,11H,10H2,1-2H3
InChIKeyFRKAJPSVFYCYEB-UHFFFAOYSA-N
MW297.33 g/mol
LogP4.04
Rot. Bonds4

About 1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone

1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone (PubChem CID 11580237) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone
PubChem CID11580237
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone
SMILESCOc1ccc2c(c1)c(C(C)=O)cn2Cc1ccc(F)cc1
InChIInChI=1S/C18H16FNO2/c1-12(21)17-11-20(10-13-3-5-14(19)6-4-13)18-8-7-15(22-2)9-16(17)18/h3-9,11H,10H2,1-2H3
InChIKeyFRKAJPSVFYCYEB-UHFFFAOYSA-N
XLogP4.04
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-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

Related Compounds

N-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide
CID 110167918
(4Z)-4-[[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-hydroxymethylidene]oxolane-2,3-dione
CID 16741548
4-(3-acetyl-5-methoxyindol-1-yl)butan-2-one
CID 117098652
6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one
CID 20864686
1-[(3,4-dichlorophenyl)methyl]-5-methoxy-N-methylindole-3-carboxamide
CID 145438430
ethyl 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]acetate
CID 10831090
4-[[3-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898107
1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one
CID 20864617
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]indol-3-yl]ethanone
CID 95922052
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1,2-thiazol-3-yl)methanone
CID 67244660
1-[5-bromo-1-[(4-methylphenyl)methyl]indol-3-yl]ethanone
CID 83526142
(1-benzyl-5-methoxyindol-3-yl) acetate
CID 50941305

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone (CID 11580237) is 1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone is COc1ccc2c(c1)c(C(C)=O)cn2Cc1ccc(F)cc1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone?
The InChIKey is FRKAJPSVFYCYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-12(21)17-11-20(10-13-3-5-14(19)6-4-13)18-8-7-15(22-2)9-16(17)18/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone?
1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone has a molecular weight of 297.33 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone is sourced from PubChem (CID 11580237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).