1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one

C18H16FNO — CID 955251

IUPAC1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one
SMILESCCC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C18H16FNO/c1-2-18(21)16-12-20(17-6-4-3-5-15(16)17)11-13-7-9-14(19)10-8-13/h3-10,12H,2,11H2,1H3
InChIKeyRSLLQGDDMQLCCI-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.42
Rot. Bonds4

About 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one

1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one (PubChem CID 955251) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one
PubChem CID955251
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one
SMILESCCC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C18H16FNO/c1-2-18(21)16-12-20(17-6-4-3-5-15(16)17)11-13-7-9-14(19)10-8-13/h3-10,12H,2,11H2,1H3
InChIKeyRSLLQGDDMQLCCI-UHFFFAOYSA-N
XLogP4.42
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-propanoylindol-1-yl)methyl]benzonitrile
CID 955249
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177
[1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 955151
(Z)-4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid
CID 11695776
1-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]butan-1-one
CID 3579948
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide
CID 41109122
1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one
CID 955241
4-[1-[(4-methylphenyl)methyl]indol-3-yl]-2,4-dioxobutanoic acid
CID 73292047
1-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55678779
N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 46227998
(2,3,4,5,6-pentafluorophenyl) 1-benzylindole-3-carboxylate
CID 16681599
N-(2-fluorophenyl)-2-(3-propanoylindol-1-yl)acetamide
CID 955255

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one (CID 955251) is 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one is CCC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one?
The InChIKey is RSLLQGDDMQLCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c1-2-18(21)16-12-20(17-6-4-3-5-15(16)17)11-13-7-9-14(19)10-8-13/h3-10,12H,2,11H2,1H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one?
1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one has a molecular weight of 281.33 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one is sourced from PubChem (CID 955251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).