3,3-difluoro-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indol-2-one

C23H19F2NO3 — CID 141372253

IUPAC3,3-difluoro-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indol-2-one
SMILESCOc1ccc(CN2C(=O)C(F)(F)c3cc(-c4ccc(OC)cc4)ccc32)cc1
InChIInChI=1S/C23H19F2NO3/c1-28-18-8-3-15(4-9-18)14-26-21-12-7-17(13-20(21)23(24,25)22(26)27)16-5-10-19(29-2)11-6-16/h3-13H,14H2,1-2H3
InChIKeyNQWUPWUECPPGIW-UHFFFAOYSA-N
MW395.41 g/mol
LogP5.01
Rot. Bonds5

About 3,3-difluoro-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indol-2-one

3,3-difluoro-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indol-2-one (PubChem CID 141372253) has the molecular formula C23H19F2NO3 and a molecular weight of 395.41 g/mol. Its IUPAC name is 3,3-difluoro-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indol-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indol-2-one
PubChem CID141372253
Molecular FormulaC23H19F2NO3
Molecular Weight395.41 g/mol
Exact Mass395.13
IUPAC Name3,3-difluoro-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indol-2-one
SMILESCOc1ccc(CN2C(=O)C(F)(F)c3cc(-c4ccc(OC)cc4)ccc32)cc1
InChIInChI=1S/C23H19F2NO3/c1-28-18-8-3-15(4-9-18)14-26-21-12-7-17(13-20(21)23(24,25)22(26)27)16-5-10-19(29-2)11-6-16/h3-13H,14H2,1-2H3
InChIKeyNQWUPWUECPPGIW-UHFFFAOYSA-N
XLogP5.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.41
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indol-2-one?
The IUPAC name of 3,3-difluoro-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indol-2-one (CID 141372253) is 3,3-difluoro-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indol-2-one.
What is the SMILES notation for 3,3-difluoro-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indol-2-one?
The canonical SMILES for 3,3-difluoro-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indol-2-one is COc1ccc(CN2C(=O)C(F)(F)c3cc(-c4ccc(OC)cc4)ccc32)cc1.
What is the InChIKey of 3,3-difluoro-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indol-2-one?
The InChIKey is NQWUPWUECPPGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NO3/c1-28-18-8-3-15(4-9-18)14-26-21-12-7-17(13-20(21)23(24,25)22(26)27)16-5-10-19(29-2)11-6-16/h3-13H,14H2,1-2H3.
What are the key properties of 3,3-difluoro-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indol-2-one?
3,3-difluoro-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indol-2-one has a molecular weight of 395.41 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indol-2-one is sourced from PubChem (CID 141372253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).