1-[4-(4-fluorophenyl)-1-propan-2-ylindol-3-yl]ethanone

C19H18FNO — CID 123233603

IUPAC1-[4-(4-fluorophenyl)-1-propan-2-ylindol-3-yl]ethanone
SMILESCC(=O)c1cn(C(C)C)c2cccc(-c3ccc(F)cc3)c12
InChIInChI=1S/C19H18FNO/c1-12(2)21-11-17(13(3)22)19-16(5-4-6-18(19)21)14-7-9-15(20)10-8-14/h4-12H,1-3H3
InChIKeyFBYXRDYFIZFADG-UHFFFAOYSA-N
MW295.36 g/mol
LogP5.23
Rot. Bonds3

About 1-[4-(4-fluorophenyl)-1-propan-2-ylindol-3-yl]ethanone

1-[4-(4-fluorophenyl)-1-propan-2-ylindol-3-yl]ethanone (PubChem CID 123233603) has the molecular formula C19H18FNO and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-1-propan-2-ylindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-1-propan-2-ylindol-3-yl]ethanone
PubChem CID123233603
Molecular FormulaC19H18FNO
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC Name1-[4-(4-fluorophenyl)-1-propan-2-ylindol-3-yl]ethanone
SMILESCC(=O)c1cn(C(C)C)c2cccc(-c3ccc(F)cc3)c12
InChIInChI=1S/C19H18FNO/c1-12(2)21-11-17(13(3)22)19-16(5-4-6-18(19)21)14-7-9-15(20)10-8-14/h4-12H,1-3H3
InChIKeyFBYXRDYFIZFADG-UHFFFAOYSA-N
XLogP5.23
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.36
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-1-propan-2-ylindol-3-yl]ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)-1-propan-2-ylindol-3-yl]ethanone (CID 123233603) is 1-[4-(4-fluorophenyl)-1-propan-2-ylindol-3-yl]ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-1-propan-2-ylindol-3-yl]ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)-1-propan-2-ylindol-3-yl]ethanone is CC(=O)c1cn(C(C)C)c2cccc(-c3ccc(F)cc3)c12.
What is the InChIKey of 1-[4-(4-fluorophenyl)-1-propan-2-ylindol-3-yl]ethanone?
The InChIKey is FBYXRDYFIZFADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO/c1-12(2)21-11-17(13(3)22)19-16(5-4-6-18(19)21)14-7-9-15(20)10-8-14/h4-12H,1-3H3.
What are the key properties of 1-[4-(4-fluorophenyl)-1-propan-2-ylindol-3-yl]ethanone?
1-[4-(4-fluorophenyl)-1-propan-2-ylindol-3-yl]ethanone has a molecular weight of 295.36 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-1-propan-2-ylindol-3-yl]ethanone is sourced from PubChem (CID 123233603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).