1-benzyl-7-fluoro-3-hydroxy-3H-indol-2-one

C15H12FNO2 — CID 71725717

IUPAC1-benzyl-7-fluoro-3-hydroxy-3H-indol-2-one
SMILESO=C1C(O)c2cccc(F)c2N1Cc1ccccc1
InChIInChI=1S/C15H12FNO2/c16-12-8-4-7-11-13(12)17(15(19)14(11)18)9-10-5-2-1-3-6-10/h1-8,14,18H,9H2
InChIKeyOKUGGXXDZDPHAB-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.41
Rot. Bonds2

About 1-benzyl-7-fluoro-3-hydroxy-3H-indol-2-one

1-benzyl-7-fluoro-3-hydroxy-3H-indol-2-one (PubChem CID 71725717) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 1-benzyl-7-fluoro-3-hydroxy-3H-indol-2-one.

Molecular Properties

Compound Name1-benzyl-7-fluoro-3-hydroxy-3H-indol-2-one
PubChem CID71725717
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name1-benzyl-7-fluoro-3-hydroxy-3H-indol-2-one
SMILESO=C1C(O)c2cccc(F)c2N1Cc1ccccc1
InChIInChI=1S/C15H12FNO2/c16-12-8-4-7-11-13(12)17(15(19)14(11)18)9-10-5-2-1-3-6-10/h1-8,14,18H,9H2
InChIKeyOKUGGXXDZDPHAB-UHFFFAOYSA-N
XLogP2.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 46885735
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CID 73294017
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CID 7731975
4-benzyl-3-(difluoromethyl)-5-fluoro-1,3-dihydroquinoxalin-2-one
CID 164577891
N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide
CID 720059
1-benzyl-3-(2-oxobutyl)-3H-indol-2-one
CID 53381662
(15R,19R)-17-[(4-fluorophenyl)methyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1100981

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-fluoro-3-hydroxy-3H-indol-2-one?
The IUPAC name of 1-benzyl-7-fluoro-3-hydroxy-3H-indol-2-one (CID 71725717) is 1-benzyl-7-fluoro-3-hydroxy-3H-indol-2-one.
What is the SMILES notation for 1-benzyl-7-fluoro-3-hydroxy-3H-indol-2-one?
The canonical SMILES for 1-benzyl-7-fluoro-3-hydroxy-3H-indol-2-one is O=C1C(O)c2cccc(F)c2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-7-fluoro-3-hydroxy-3H-indol-2-one?
The InChIKey is OKUGGXXDZDPHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c16-12-8-4-7-11-13(12)17(15(19)14(11)18)9-10-5-2-1-3-6-10/h1-8,14,18H,9H2.
What are the key properties of 1-benzyl-7-fluoro-3-hydroxy-3H-indol-2-one?
1-benzyl-7-fluoro-3-hydroxy-3H-indol-2-one has a molecular weight of 257.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-fluoro-3-hydroxy-3H-indol-2-one is sourced from PubChem (CID 71725717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).