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

C14H10FIN2O — CID 43124316

IUPAC5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1Nc1ccc(I)cc1
InChIInChI=1S/C14H10FIN2O/c15-8-1-6-12-11(7-8)13(14(19)18-12)17-10-4-2-9(16)3-5-10/h1-7,13,17H,(H,18,19)
InChIKeyGTRSWGVTBBMWLV-UHFFFAOYSA-N
MW368.15 g/mol
LogP3.54
Rot. Bonds2

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

5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one (PubChem CID 43124316) has the molecular formula C14H10FIN2O and a molecular weight of 368.15 g/mol. Its IUPAC name is 5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
PubChem CID43124316
Molecular FormulaC14H10FIN2O
Molecular Weight368.15 g/mol
Exact Mass367.98
IUPAC Name5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1Nc1ccc(I)cc1
InChIInChI=1S/C14H10FIN2O/c15-8-1-6-12-11(7-8)13(14(19)18-12)17-10-4-2-9(16)3-5-10/h1-7,13,17H,(H,18,19)
InChIKeyGTRSWGVTBBMWLV-UHFFFAOYSA-N
XLogP3.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.15
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one (CID 43124316) is 5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1Nc1ccc(I)cc1.
What is the InChIKey of 5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one?
The InChIKey is GTRSWGVTBBMWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FIN2O/c15-8-1-6-12-11(7-8)13(14(19)18-12)17-10-4-2-9(16)3-5-10/h1-7,13,17H,(H,18,19).
What are the key properties of 5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one?
5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one has a molecular weight of 368.15 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43124316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).