5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one

C15H11F2NO2 — CID 61087016

IUPAC5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)c3cc(F)cc(F)c3)ccc2N1
InChIInChI=1S/C15H11F2NO2/c16-11-4-10(5-12(17)7-11)15(20)8-1-2-13-9(3-8)6-14(19)18-13/h1-5,7,15,20H,6H2,(H,18,19)
InChIKeyMOLCSKXPUYTWQU-UHFFFAOYSA-N
MW275.25 g/mol
LogP2.54
Rot. Bonds2

About 5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one

5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one (PubChem CID 61087016) has the molecular formula C15H11F2NO2 and a molecular weight of 275.25 g/mol. Its IUPAC name is 5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
PubChem CID61087016
Molecular FormulaC15H11F2NO2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC Name5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)c3cc(F)cc(F)c3)ccc2N1
InChIInChI=1S/C15H11F2NO2/c16-11-4-10(5-12(17)7-11)15(20)8-1-2-13-9(3-8)6-14(19)18-13/h1-5,7,15,20H,6H2,(H,18,19)
InChIKeyMOLCSKXPUYTWQU-UHFFFAOYSA-N
XLogP2.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61088889
5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 107991147
5-[(2,6-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61086834
5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61087937
5-[(3-fluoro-4-methoxyphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 62920423
5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one
CID 79755388
7-[(3-fluorophenyl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61082022
5-[(2-bromo-5-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 81112630
5-(3,5-difluorobenzoyl)-1,3-dihydroindol-2-one
CID 43338600
5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 63210169
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
5-[(5-ethylfuran-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 79096703

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one (CID 61087016) is 5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(O)c3cc(F)cc(F)c3)ccc2N1.
What is the InChIKey of 5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
The InChIKey is MOLCSKXPUYTWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2/c16-11-4-10(5-12(17)7-11)15(20)8-1-2-13-9(3-8)6-14(19)18-13/h1-5,7,15,20H,6H2,(H,18,19).
What are the key properties of 5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one has a molecular weight of 275.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 61087016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).