1-[1-[(3-fluoro-4-methoxyphenyl)methyl]indol-3-yl]ethanone

C18H16FNO2 — CID 95922052

IUPAC1-[1-[(3-fluoro-4-methoxyphenyl)methyl]indol-3-yl]ethanone
SMILESCOc1ccc(Cn2cc(C(C)=O)c3ccccc32)cc1F
InChIInChI=1S/C18H16FNO2/c1-12(21)15-11-20(17-6-4-3-5-14(15)17)10-13-7-8-18(22-2)16(19)9-13/h3-9,11H,10H2,1-2H3
InChIKeyKCFJSJKZRWXXNP-UHFFFAOYSA-N
MW297.33 g/mol
LogP4.04
Rot. Bonds4

About 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]indol-3-yl]ethanone

1-[1-[(3-fluoro-4-methoxyphenyl)methyl]indol-3-yl]ethanone (PubChem CID 95922052) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(3-fluoro-4-methoxyphenyl)methyl]indol-3-yl]ethanone
PubChem CID95922052
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name1-[1-[(3-fluoro-4-methoxyphenyl)methyl]indol-3-yl]ethanone
SMILESCOc1ccc(Cn2cc(C(C)=O)c3ccccc32)cc1F
InChIInChI=1S/C18H16FNO2/c1-12(21)15-11-20(17-6-4-3-5-14(15)17)10-13-7-8-18(22-2)16(19)9-13/h3-9,11H,10H2,1-2H3
InChIKeyKCFJSJKZRWXXNP-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-[(3-fluoro-4-methoxyphenyl)methyl]indol-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

1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone
CID 11580237
N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide
CID 144813115
5-[(3-acetylindol-1-yl)methyl]furan-2-carboxylic acid
CID 117098458
1-benzyl-3-(3,4-dimethoxybenzoyl)quinolin-4-one
CID 2137046
1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one
CID 955251
1-[(3-fluoro-4-methoxyphenyl)methyl]indole-4-carbonitrile
CID 107919109
2-(3-acetylindol-1-yl)acetaldehyde
CID 130321343
(2,3,4,5,6-pentafluorophenyl) 1-benzylindole-3-carboxylate
CID 16681599
[1-[(3,4-dimethoxyphenyl)methyl]indol-3-yl]-trimethylazanium
CID 102432985
methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate
CID 973154
1-benzyl-3-(4-fluoro-3-methoxyphenyl)indole;propanoic acid
CID 130234230
3-acetyl-1-benzylindole-5-carboxamide
CID 22382729

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]indol-3-yl]ethanone?
The IUPAC name of 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]indol-3-yl]ethanone (CID 95922052) is 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]indol-3-yl]ethanone is COc1ccc(Cn2cc(C(C)=O)c3ccccc32)cc1F.
What is the InChIKey of 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]indol-3-yl]ethanone?
The InChIKey is KCFJSJKZRWXXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-12(21)15-11-20(17-6-4-3-5-14(15)17)10-13-7-8-18(22-2)16(19)9-13/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-[1-[(3-fluoro-4-methoxyphenyl)methyl]indol-3-yl]ethanone?
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]indol-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-[(3-fluoro-4-methoxyphenyl)methyl]indol-3-yl]ethanone is sourced from PubChem (CID 95922052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).