1-(3,5-dichlorophenyl)-5-fluoro-3H-indol-2-one

C14H8Cl2FNO — CID 173173158

IUPAC1-(3,5-dichlorophenyl)-5-fluoro-3H-indol-2-one
SMILESO=C1Cc2cc(F)ccc2N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H8Cl2FNO/c15-9-5-10(16)7-12(6-9)18-13-2-1-11(17)3-8(13)4-14(18)19/h1-3,5-7H,4H2
InChIKeyCPSNKVPEZFJVDA-UHFFFAOYSA-N
MW296.13 g/mol
LogP4.35
Rot. Bonds1

About 1-(3,5-dichlorophenyl)-5-fluoro-3H-indol-2-one

1-(3,5-dichlorophenyl)-5-fluoro-3H-indol-2-one (PubChem CID 173173158) has the molecular formula C14H8Cl2FNO and a molecular weight of 296.13 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-5-fluoro-3H-indol-2-one.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-5-fluoro-3H-indol-2-one
PubChem CID173173158
Molecular FormulaC14H8Cl2FNO
Molecular Weight296.13 g/mol
Exact Mass295.00
IUPAC Name1-(3,5-dichlorophenyl)-5-fluoro-3H-indol-2-one
SMILESO=C1Cc2cc(F)ccc2N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H8Cl2FNO/c15-9-5-10(16)7-12(6-9)18-13-2-1-11(17)3-8(13)4-14(18)19/h1-3,5-7H,4H2
InChIKeyCPSNKVPEZFJVDA-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-5-fluoro-3H-indol-2-one?
The IUPAC name of 1-(3,5-dichlorophenyl)-5-fluoro-3H-indol-2-one (CID 173173158) is 1-(3,5-dichlorophenyl)-5-fluoro-3H-indol-2-one.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-5-fluoro-3H-indol-2-one?
The canonical SMILES for 1-(3,5-dichlorophenyl)-5-fluoro-3H-indol-2-one is O=C1Cc2cc(F)ccc2N1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-5-fluoro-3H-indol-2-one?
The InChIKey is CPSNKVPEZFJVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FNO/c15-9-5-10(16)7-12(6-9)18-13-2-1-11(17)3-8(13)4-14(18)19/h1-3,5-7H,4H2.
What are the key properties of 1-(3,5-dichlorophenyl)-5-fluoro-3H-indol-2-one?
1-(3,5-dichlorophenyl)-5-fluoro-3H-indol-2-one has a molecular weight of 296.13 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-5-fluoro-3H-indol-2-one is sourced from PubChem (CID 173173158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).