5-chloro-3-(2-chloro-4-fluorophenyl)-3-hydroxy-1H-indol-2-one

C14H8Cl2FNO2 — CID 18753035

IUPAC5-chloro-3-(2-chloro-4-fluorophenyl)-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1(O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H8Cl2FNO2/c15-7-1-4-12-10(5-7)14(20,13(19)18-12)9-3-2-8(17)6-11(9)16/h1-6,20H,(H,18,19)
InChIKeyNYHDMQFDGCTJIG-UHFFFAOYSA-N
MW312.13 g/mol
LogP3.32
Rot. Bonds1

About 5-chloro-3-(2-chloro-4-fluorophenyl)-3-hydroxy-1H-indol-2-one

5-chloro-3-(2-chloro-4-fluorophenyl)-3-hydroxy-1H-indol-2-one (PubChem CID 18753035) has the molecular formula C14H8Cl2FNO2 and a molecular weight of 312.13 g/mol. Its IUPAC name is 5-chloro-3-(2-chloro-4-fluorophenyl)-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-(2-chloro-4-fluorophenyl)-3-hydroxy-1H-indol-2-one
PubChem CID18753035
Molecular FormulaC14H8Cl2FNO2
Molecular Weight312.13 g/mol
Exact Mass310.99
IUPAC Name5-chloro-3-(2-chloro-4-fluorophenyl)-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1(O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H8Cl2FNO2/c15-7-1-4-12-10(5-7)14(20,13(19)18-12)9-3-2-8(17)6-11(9)16/h1-6,20H,(H,18,19)
InChIKeyNYHDMQFDGCTJIG-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-chloro-4-fluorophenyl)-3-hydroxy-1H-indol-2-one?
The IUPAC name of 5-chloro-3-(2-chloro-4-fluorophenyl)-3-hydroxy-1H-indol-2-one (CID 18753035) is 5-chloro-3-(2-chloro-4-fluorophenyl)-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-(2-chloro-4-fluorophenyl)-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-(2-chloro-4-fluorophenyl)-3-hydroxy-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2C1(O)c1ccc(F)cc1Cl.
What is the InChIKey of 5-chloro-3-(2-chloro-4-fluorophenyl)-3-hydroxy-1H-indol-2-one?
The InChIKey is NYHDMQFDGCTJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FNO2/c15-7-1-4-12-10(5-7)14(20,13(19)18-12)9-3-2-8(17)6-11(9)16/h1-6,20H,(H,18,19).
What are the key properties of 5-chloro-3-(2-chloro-4-fluorophenyl)-3-hydroxy-1H-indol-2-one?
5-chloro-3-(2-chloro-4-fluorophenyl)-3-hydroxy-1H-indol-2-one has a molecular weight of 312.13 g/mol, XLogP of 3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-chloro-4-fluorophenyl)-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 18753035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).