1-(4-fluorophenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one

C22H20FNO — CID 619260

IUPAC1-(4-fluorophenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2cc(-c3ccccc3)n(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C22H20FNO/c1-22(2)13-20-18(21(25)14-22)12-19(15-6-4-3-5-7-15)24(20)17-10-8-16(23)9-11-17/h3-12H,13-14H2,1-2H3
InChIKeyVCNOGUAJFDZNEZ-UHFFFAOYSA-N
MW333.41 g/mol
LogP5.44
Rot. Bonds2

About 1-(4-fluorophenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one

1-(4-fluorophenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one (PubChem CID 619260) has the molecular formula C22H20FNO and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one
PubChem CID619260
Molecular FormulaC22H20FNO
Molecular Weight333.41 g/mol
Exact Mass333.15
IUPAC Name1-(4-fluorophenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2cc(-c3ccccc3)n(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C22H20FNO/c1-22(2)13-20-18(21(25)14-22)12-19(15-6-4-3-5-7-15)24(20)17-10-8-16(23)9-11-17/h3-12H,13-14H2,1-2H3
InChIKeyVCNOGUAJFDZNEZ-UHFFFAOYSA-N
XLogP5.44
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.41
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-(4-fluorophenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one (CID 619260) is 1-(4-fluorophenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one is CC1(C)CC(=O)c2cc(-c3ccccc3)n(-c3ccc(F)cc3)c2C1.
What is the InChIKey of 1-(4-fluorophenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one?
The InChIKey is VCNOGUAJFDZNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO/c1-22(2)13-20-18(21(25)14-22)12-19(15-6-4-3-5-7-15)24(20)17-10-8-16(23)9-11-17/h3-12H,13-14H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one?
1-(4-fluorophenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one has a molecular weight of 333.41 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 619260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).