1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one

C18H16FNO — CID 82781940

IUPAC1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)c1c[nH]c2cccc(F)c12)c1ccccc1
InChIInChI=1S/C18H16FNO/c1-18(2,12-7-4-3-5-8-12)17(21)13-11-20-15-10-6-9-14(19)16(13)15/h3-11,20H,1-2H3
InChIKeyYKNLRVNSIZYSED-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.47
Rot. Bonds3

About 1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one

1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one (PubChem CID 82781940) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one
PubChem CID82781940
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)c1c[nH]c2cccc(F)c12)c1ccccc1
InChIInChI=1S/C18H16FNO/c1-18(2,12-7-4-3-5-8-12)17(21)13-11-20-15-10-6-9-14(19)16(13)15/h3-11,20H,1-2H3
InChIKeyYKNLRVNSIZYSED-UHFFFAOYSA-N
XLogP4.47
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one 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

2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid
CID 82782160
1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone
CID 82792772
2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one
CID 43163357
1-(4-fluoro-1H-indol-3-yl)butan-1-one
CID 82793339
1-(4-bromo-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 115351529
1-(4-fluoro-1H-indol-3-yl)prop-2-en-1-one
CID 103522563
(2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82791826
2-(4-fluoro-1H-indol-3-yl)-2-oxo-N,N-bis(trideuteriomethyl)acetamide
CID 156821103
1-(2-chloro-4,5-difluorophenyl)-2-methyl-2-phenylpropan-1-one
CID 107475705
3-(2,2-dimethylpropanoyl)-1H-indole-4-carbonitrile
CID 107918562
(2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82791957
N-[2-[[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]-methylamino]ethyl]-N-methylbenzamide
CID 45485555

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one (CID 82781940) is 1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one is CC(C)(C(=O)c1c[nH]c2cccc(F)c12)c1ccccc1.
What is the InChIKey of 1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one?
The InChIKey is YKNLRVNSIZYSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c1-18(2,12-7-4-3-5-8-12)17(21)13-11-20-15-10-6-9-14(19)16(13)15/h3-11,20H,1-2H3.
What are the key properties of 1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one?
1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one has a molecular weight of 281.33 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 82781940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).