3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one

C23H17F2NO — CID 58125933

IUPAC3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one
SMILESO=C(CCc1ccccc1F)c1[nH]c2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/C23H17F2NO/c24-17-11-12-20-18(14-17)22(16-7-2-1-3-8-16)23(26-20)21(27)13-10-15-6-4-5-9-19(15)25/h1-9,11-12,14,26H,10,13H2
InChIKeyRCYZXUCATMCYHD-UHFFFAOYSA-N
MW361.39 g/mol
LogP5.93
Rot. Bonds5

About 3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one

3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one (PubChem CID 58125933) has the molecular formula C23H17F2NO and a molecular weight of 361.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one
PubChem CID58125933
Molecular FormulaC23H17F2NO
Molecular Weight361.39 g/mol
Exact Mass361.13
IUPAC Name3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one
SMILESO=C(CCc1ccccc1F)c1[nH]c2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/C23H17F2NO/c24-17-11-12-20-18(14-17)22(16-7-2-1-3-8-16)23(26-20)21(27)13-10-15-6-4-5-9-19(15)25/h1-9,11-12,14,26H,10,13H2
InChIKeyRCYZXUCATMCYHD-UHFFFAOYSA-N
XLogP5.93
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.39
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one (CID 58125933) is 3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one is O=C(CCc1ccccc1F)c1[nH]c2ccc(F)cc2c1-c1ccccc1.
What is the InChIKey of 3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one?
The InChIKey is RCYZXUCATMCYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2NO/c24-17-11-12-20-18(14-17)22(16-7-2-1-3-8-16)23(26-20)21(27)13-10-15-6-4-5-9-19(15)25/h1-9,11-12,14,26H,10,13H2.
What are the key properties of 3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one?
3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one has a molecular weight of 361.39 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one is sourced from PubChem (CID 58125933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).