3-(2,4-dichloroanilino)-5-fluoro-1,3-dihydroindol-2-one

C14H9Cl2FN2O — CID 43101780

IUPAC3-(2,4-dichloroanilino)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2FN2O/c15-7-1-3-12(10(16)5-7)18-13-9-6-8(17)2-4-11(9)19-14(13)20/h1-6,13,18H,(H,19,20)
InChIKeyPATOBJXHMNLAES-UHFFFAOYSA-N
MW311.14 g/mol
LogP4.24
Rot. Bonds2

About 3-(2,4-dichloroanilino)-5-fluoro-1,3-dihydroindol-2-one

3-(2,4-dichloroanilino)-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 43101780) has the molecular formula C14H9Cl2FN2O and a molecular weight of 311.14 g/mol. Its IUPAC name is 3-(2,4-dichloroanilino)-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(2,4-dichloroanilino)-5-fluoro-1,3-dihydroindol-2-one
PubChem CID43101780
Molecular FormulaC14H9Cl2FN2O
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name3-(2,4-dichloroanilino)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2FN2O/c15-7-1-3-12(10(16)5-7)18-13-9-6-8(17)2-4-11(9)19-14(13)20/h1-6,13,18H,(H,19,20)
InChIKeyPATOBJXHMNLAES-UHFFFAOYSA-N
XLogP4.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloroanilino)-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-(2,4-dichloroanilino)-5-fluoro-1,3-dihydroindol-2-one (CID 43101780) is 3-(2,4-dichloroanilino)-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(2,4-dichloroanilino)-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(2,4-dichloroanilino)-5-fluoro-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichloroanilino)-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is PATOBJXHMNLAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2O/c15-7-1-3-12(10(16)5-7)18-13-9-6-8(17)2-4-11(9)19-14(13)20/h1-6,13,18H,(H,19,20).
What are the key properties of 3-(2,4-dichloroanilino)-5-fluoro-1,3-dihydroindol-2-one?
3-(2,4-dichloroanilino)-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 311.14 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloroanilino)-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43101780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).