3-phenyl-1-[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]propan-1-one

C24H18F3NO — CID 148626068

IUPAC3-phenyl-1-[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]propan-1-one
SMILESO=C(CCc1ccccc1)c1cccc(-c2cc(C(F)(F)F)cc3c2C=NC3)c1
InChIInChI=1S/C24H18F3NO/c25-24(26,27)20-12-19-14-28-15-22(19)21(13-20)17-7-4-8-18(11-17)23(29)10-9-16-5-2-1-3-6-16/h1-8,11-13,15H,9-10,14H2
InChIKeyNHFLWTUEWHWNBX-UHFFFAOYSA-N
MW393.41 g/mol
LogP6.12
Rot. Bonds5

About 3-phenyl-1-[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]propan-1-one

3-phenyl-1-[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]propan-1-one (PubChem CID 148626068) has the molecular formula C24H18F3NO and a molecular weight of 393.41 g/mol. Its IUPAC name is 3-phenyl-1-[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]propan-1-one
PubChem CID148626068
Molecular FormulaC24H18F3NO
Molecular Weight393.41 g/mol
Exact Mass393.13
IUPAC Name3-phenyl-1-[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]propan-1-one
SMILESO=C(CCc1ccccc1)c1cccc(-c2cc(C(F)(F)F)cc3c2C=NC3)c1
InChIInChI=1S/C24H18F3NO/c25-24(26,27)20-12-19-14-28-15-22(19)21(13-20)17-7-4-8-18(11-17)23(29)10-9-16-5-2-1-3-6-16/h1-8,11-13,15H,9-10,14H2
InChIKeyNHFLWTUEWHWNBX-UHFFFAOYSA-N
XLogP6.12
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.41
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]propan-1-one?
The IUPAC name of 3-phenyl-1-[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]propan-1-one (CID 148626068) is 3-phenyl-1-[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]propan-1-one is O=C(CCc1ccccc1)c1cccc(-c2cc(C(F)(F)F)cc3c2C=NC3)c1.
What is the InChIKey of 3-phenyl-1-[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]propan-1-one?
The InChIKey is NHFLWTUEWHWNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3NO/c25-24(26,27)20-12-19-14-28-15-22(19)21(13-20)17-7-4-8-18(11-17)23(29)10-9-16-5-2-1-3-6-16/h1-8,11-13,15H,9-10,14H2.
What are the key properties of 3-phenyl-1-[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]propan-1-one?
3-phenyl-1-[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]propan-1-one has a molecular weight of 393.41 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]propan-1-one is sourced from PubChem (CID 148626068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).