(4,6-difluoro-2,3-dihydroindol-1-yl)-(4-iodophenyl)methanone

C15H10F2INO — CID 112833897

IUPAC(4,6-difluoro-2,3-dihydroindol-1-yl)-(4-iodophenyl)methanone
SMILESO=C(c1ccc(I)cc1)N1CCc2c(F)cc(F)cc21
InChIInChI=1S/C15H10F2INO/c16-10-7-13(17)12-5-6-19(14(12)8-10)15(20)9-1-3-11(18)4-2-9/h1-4,7-8H,5-6H2
InChIKeyGDGUITKLIGFSGT-UHFFFAOYSA-N
MW385.15 g/mol
LogP3.77
Rot. Bonds1

About (4,6-difluoro-2,3-dihydroindol-1-yl)-(4-iodophenyl)methanone

(4,6-difluoro-2,3-dihydroindol-1-yl)-(4-iodophenyl)methanone (PubChem CID 112833897) has the molecular formula C15H10F2INO and a molecular weight of 385.15 g/mol. Its IUPAC name is (4,6-difluoro-2,3-dihydroindol-1-yl)-(4-iodophenyl)methanone.

Molecular Properties

Compound Name(4,6-difluoro-2,3-dihydroindol-1-yl)-(4-iodophenyl)methanone
PubChem CID112833897
Molecular FormulaC15H10F2INO
Molecular Weight385.15 g/mol
Exact Mass384.98
IUPAC Name(4,6-difluoro-2,3-dihydroindol-1-yl)-(4-iodophenyl)methanone
SMILESO=C(c1ccc(I)cc1)N1CCc2c(F)cc(F)cc21
InChIInChI=1S/C15H10F2INO/c16-10-7-13(17)12-5-6-19(14(12)8-10)15(20)9-1-3-11(18)4-2-9/h1-4,7-8H,5-6H2
InChIKeyGDGUITKLIGFSGT-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.15
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4,6-difluoro-2,3-dihydroindol-1-yl)-(4-iodophenyl)methanone?
The IUPAC name of (4,6-difluoro-2,3-dihydroindol-1-yl)-(4-iodophenyl)methanone (CID 112833897) is (4,6-difluoro-2,3-dihydroindol-1-yl)-(4-iodophenyl)methanone.
What is the SMILES notation for (4,6-difluoro-2,3-dihydroindol-1-yl)-(4-iodophenyl)methanone?
The canonical SMILES for (4,6-difluoro-2,3-dihydroindol-1-yl)-(4-iodophenyl)methanone is O=C(c1ccc(I)cc1)N1CCc2c(F)cc(F)cc21.
What is the InChIKey of (4,6-difluoro-2,3-dihydroindol-1-yl)-(4-iodophenyl)methanone?
The InChIKey is GDGUITKLIGFSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2INO/c16-10-7-13(17)12-5-6-19(14(12)8-10)15(20)9-1-3-11(18)4-2-9/h1-4,7-8H,5-6H2.
What are the key properties of (4,6-difluoro-2,3-dihydroindol-1-yl)-(4-iodophenyl)methanone?
(4,6-difluoro-2,3-dihydroindol-1-yl)-(4-iodophenyl)methanone has a molecular weight of 385.15 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-difluoro-2,3-dihydroindol-1-yl)-(4-iodophenyl)methanone is sourced from PubChem (CID 112833897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).