1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-3H-indol-2-one

C23H20FNO2 — CID 139259110

IUPAC1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-3H-indol-2-one
SMILESCOc1ccc(CC2C(=O)N(Cc3ccc(F)cc3)c3ccccc32)cc1
InChIInChI=1S/C23H20FNO2/c1-27-19-12-8-16(9-13-19)14-21-20-4-2-3-5-22(20)25(23(21)26)15-17-6-10-18(24)11-7-17/h2-13,21H,14-15H2,1H3
InChIKeyCWFUCTYCCUHZLE-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.71
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-3H-indol-2-one

1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-3H-indol-2-one (PubChem CID 139259110) has the molecular formula C23H20FNO2 and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-3H-indol-2-one
PubChem CID139259110
Molecular FormulaC23H20FNO2
Molecular Weight361.42 g/mol
Exact Mass361.15
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-3H-indol-2-one
SMILESCOc1ccc(CC2C(=O)N(Cc3ccc(F)cc3)c3ccccc32)cc1
InChIInChI=1S/C23H20FNO2/c1-27-19-12-8-16(9-13-19)14-21-20-4-2-3-5-22(20)25(23(21)26)15-17-6-10-18(24)11-7-17/h2-13,21H,14-15H2,1H3
InChIKeyCWFUCTYCCUHZLE-UHFFFAOYSA-N
XLogP4.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.71
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]-3-[(4-methoxyphenyl)methyl]-3H-indol-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-3H-indol-2-one (CID 139259110) is 1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-3H-indol-2-one is COc1ccc(CC2C(=O)N(Cc3ccc(F)cc3)c3ccccc32)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-3H-indol-2-one?
The InChIKey is CWFUCTYCCUHZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO2/c1-27-19-12-8-16(9-13-19)14-21-20-4-2-3-5-22(20)25(23(21)26)15-17-6-10-18(24)11-7-17/h2-13,21H,14-15H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-3H-indol-2-one?
1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-3H-indol-2-one has a molecular weight of 361.42 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 139259110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).