[1-[(4-fluorophenyl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C23H24FNO — CID 118796439

IUPAC[1-[(4-fluorophenyl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(Cc3ccc(F)cc3)c3ccccc23)C1(C)C
InChIInChI=1S/C23H24FNO/c1-22(2)21(23(22,3)4)20(26)18-14-25(19-8-6-5-7-17(18)19)13-15-9-11-16(24)12-10-15/h5-12,14,21H,13H2,1-4H3
InChIKeyUXOFEILQVZFLRH-UHFFFAOYSA-N
MW349.45 g/mol
LogP5.69
Rot. Bonds4

About [1-[(4-fluorophenyl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[1-[(4-fluorophenyl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 118796439) has the molecular formula C23H24FNO and a molecular weight of 349.45 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID118796439
Molecular FormulaC23H24FNO
Molecular Weight349.45 g/mol
Exact Mass349.18
IUPAC Name[1-[(4-fluorophenyl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(Cc3ccc(F)cc3)c3ccccc23)C1(C)C
InChIInChI=1S/C23H24FNO/c1-22(2)21(23(22,3)4)20(26)18-14-25(19-8-6-5-7-17(18)19)13-15-9-11-16(24)12-10-15/h5-12,14,21H,13H2,1-4H3
InChIKeyUXOFEILQVZFLRH-UHFFFAOYSA-N
XLogP5.69
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.45
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [1-[(4-fluorophenyl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 118796439) is [1-[(4-fluorophenyl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2cn(Cc3ccc(F)cc3)c3ccccc23)C1(C)C.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is UXOFEILQVZFLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO/c1-22(2)21(23(22,3)4)20(26)18-14-25(19-8-6-5-7-17(18)19)13-15-9-11-16(24)12-10-15/h5-12,14,21H,13H2,1-4H3.
What are the key properties of [1-[(4-fluorophenyl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[1-[(4-fluorophenyl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 349.45 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 118796439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).