3-[(2-fluorophenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one

C27H21FN2O — CID 19438958

IUPAC3-[(2-fluorophenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one
SMILESO=C1N(c2ccccc2)c2ccccc2C1(Cc1ccncc1)Cc1ccccc1F
InChIInChI=1S/C27H21FN2O/c28-24-12-6-4-8-21(24)19-27(18-20-14-16-29-17-15-20)23-11-5-7-13-25(23)30(26(27)31)22-9-2-1-3-10-22/h1-17H,18-19H2
InChIKeyFLBKNZWAHYXHAH-UHFFFAOYSA-N
MW408.48 g/mol
LogP5.62
Rot. Bonds5

About 3-[(2-fluorophenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one

3-[(2-fluorophenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one (PubChem CID 19438958) has the molecular formula C27H21FN2O and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one
PubChem CID19438958
Molecular FormulaC27H21FN2O
Molecular Weight408.48 g/mol
Exact Mass408.16
IUPAC Name3-[(2-fluorophenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one
SMILESO=C1N(c2ccccc2)c2ccccc2C1(Cc1ccncc1)Cc1ccccc1F
InChIInChI=1S/C27H21FN2O/c28-24-12-6-4-8-21(24)19-27(18-20-14-16-29-17-15-20)23-11-5-7-13-25(23)30(26(27)31)22-9-2-1-3-10-22/h1-17H,18-19H2
InChIKeyFLBKNZWAHYXHAH-UHFFFAOYSA-N
XLogP5.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.48
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one (CID 19438958) is 3-[(2-fluorophenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one is O=C1N(c2ccccc2)c2ccccc2C1(Cc1ccncc1)Cc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one?
The InChIKey is FLBKNZWAHYXHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN2O/c28-24-12-6-4-8-21(24)19-27(18-20-14-16-29-17-15-20)23-11-5-7-13-25(23)30(26(27)31)22-9-2-1-3-10-22/h1-17H,18-19H2.
What are the key properties of 3-[(2-fluorophenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one?
3-[(2-fluorophenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one has a molecular weight of 408.48 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one is sourced from PubChem (CID 19438958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).