1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one

C24H24FNO — CID 20864880

IUPAC1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one
SMILESCc1ccc(-c2cc3c(n2Cc2ccc(F)cc2)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C24H24FNO/c1-16-4-8-18(9-5-16)21-12-20-22(13-24(2,3)14-23(20)27)26(21)15-17-6-10-19(25)11-7-17/h4-12H,13-15H2,1-3H3
InChIKeyOINAOXJZVFUVGQ-UHFFFAOYSA-N
MW361.46 g/mol
LogP5.81
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one

1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one (PubChem CID 20864880) has the molecular formula C24H24FNO and a molecular weight of 361.46 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one
PubChem CID20864880
Molecular FormulaC24H24FNO
Molecular Weight361.46 g/mol
Exact Mass361.18
IUPAC Name1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one
SMILESCc1ccc(-c2cc3c(n2Cc2ccc(F)cc2)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C24H24FNO/c1-16-4-8-18(9-5-16)21-12-20-22(13-24(2,3)14-23(20)27)26(21)15-17-6-10-19(25)11-7-17/h4-12H,13-15H2,1-3H3
InChIKeyOINAOXJZVFUVGQ-UHFFFAOYSA-N
XLogP5.81
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.46
LogP ≤ 55.81
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]-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one (CID 20864880) is 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one is Cc1ccc(-c2cc3c(n2Cc2ccc(F)cc2)CC(C)(C)CC3=O)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one?
The InChIKey is OINAOXJZVFUVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO/c1-16-4-8-18(9-5-16)21-12-20-22(13-24(2,3)14-23(20)27)26(21)15-17-6-10-19(25)11-7-17/h4-12H,13-15H2,1-3H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one?
1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one has a molecular weight of 361.46 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one is sourced from PubChem (CID 20864880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).