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

C23H22ClNO — CID 4616232

IUPAC1-[(4-chlorophenyl)methyl]-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2cc(-c3ccccc3)n(Cc3ccc(Cl)cc3)c2C1
InChIInChI=1S/C23H22ClNO/c1-23(2)13-21-19(22(26)14-23)12-20(17-6-4-3-5-7-17)25(21)15-16-8-10-18(24)11-9-16/h3-12H,13-15H2,1-2H3
InChIKeyUANXLFPLFXMKJG-UHFFFAOYSA-N
MW363.89 g/mol
LogP6.01
Rot. Bonds3

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

1-[(4-chlorophenyl)methyl]-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one (PubChem CID 4616232) has the molecular formula C23H22ClNO and a molecular weight of 363.89 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one
PubChem CID4616232
Molecular FormulaC23H22ClNO
Molecular Weight363.89 g/mol
Exact Mass363.14
IUPAC Name1-[(4-chlorophenyl)methyl]-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2cc(-c3ccccc3)n(Cc3ccc(Cl)cc3)c2C1
InChIInChI=1S/C23H22ClNO/c1-23(2)13-21-19(22(26)14-23)12-20(17-6-4-3-5-7-17)25(21)15-16-8-10-18(24)11-9-16/h3-12H,13-15H2,1-2H3
InChIKeyUANXLFPLFXMKJG-UHFFFAOYSA-N
XLogP6.01
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.89
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one (CID 4616232) is 1-[(4-chlorophenyl)methyl]-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one is CC1(C)CC(=O)c2cc(-c3ccccc3)n(Cc3ccc(Cl)cc3)c2C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one?
The InChIKey is UANXLFPLFXMKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO/c1-23(2)13-21-19(22(26)14-23)12-20(17-6-4-3-5-7-17)25(21)15-16-8-10-18(24)11-9-16/h3-12H,13-15H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one?
1-[(4-chlorophenyl)methyl]-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one has a molecular weight of 363.89 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 4616232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).