3-[(2,6-difluorophenyl)methylidene]-5-iodo-1H-indol-2-one

C15H8F2INO — CID 57053949

IUPAC3-[(2,6-difluorophenyl)methylidene]-5-iodo-1H-indol-2-one
SMILESO=C1Nc2ccc(I)cc2C1=Cc1c(F)cccc1F
InChIInChI=1S/C15H8F2INO/c16-12-2-1-3-13(17)11(12)7-10-9-6-8(18)4-5-14(9)19-15(10)20/h1-7H,(H,19,20)
InChIKeyYGBDUIBNMHMVRW-UHFFFAOYSA-N
MW383.14 g/mol
LogP4.06
Rot. Bonds1

About 3-[(2,6-difluorophenyl)methylidene]-5-iodo-1H-indol-2-one

3-[(2,6-difluorophenyl)methylidene]-5-iodo-1H-indol-2-one (PubChem CID 57053949) has the molecular formula C15H8F2INO and a molecular weight of 383.14 g/mol. Its IUPAC name is 3-[(2,6-difluorophenyl)methylidene]-5-iodo-1H-indol-2-one.

Molecular Properties

Compound Name3-[(2,6-difluorophenyl)methylidene]-5-iodo-1H-indol-2-one
PubChem CID57053949
Molecular FormulaC15H8F2INO
Molecular Weight383.14 g/mol
Exact Mass382.96
IUPAC Name3-[(2,6-difluorophenyl)methylidene]-5-iodo-1H-indol-2-one
SMILESO=C1Nc2ccc(I)cc2C1=Cc1c(F)cccc1F
InChIInChI=1S/C15H8F2INO/c16-12-2-1-3-13(17)11(12)7-10-9-6-8(18)4-5-14(9)19-15(10)20/h1-7H,(H,19,20)
InChIKeyYGBDUIBNMHMVRW-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.14
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-[(2,3-difluorophenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57001414
3-[(4-chlorophenyl)methylidene]-5-iodo-1H-indol-2-one
CID 56989643
3-[(2-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57069797
3-[[2-fluoro-5-(trifluoromethyl)phenyl]methylidene]-5-iodo-1H-indol-2-one
CID 57011330
3-[(3,5-dihydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57236339
5-iodo-3-(pyridin-4-ylmethylidene)-1H-indol-2-one
CID 57038442
(3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one
CID 2449460
3-[(2,4-dichlorophenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57120788
5-iodo-3-(thiophen-3-ylmethylidene)-1H-indol-2-one
CID 57139698
3-[(4-bromo-3,5-dihydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
CID 4115418
(3Z)-3-[(1,3-dimethylazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one
CID 68581049
(3Z)-3-[(1,3-dibromoazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one
CID 59301613

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluorophenyl)methylidene]-5-iodo-1H-indol-2-one?
The IUPAC name of 3-[(2,6-difluorophenyl)methylidene]-5-iodo-1H-indol-2-one (CID 57053949) is 3-[(2,6-difluorophenyl)methylidene]-5-iodo-1H-indol-2-one.
What is the SMILES notation for 3-[(2,6-difluorophenyl)methylidene]-5-iodo-1H-indol-2-one?
The canonical SMILES for 3-[(2,6-difluorophenyl)methylidene]-5-iodo-1H-indol-2-one is O=C1Nc2ccc(I)cc2C1=Cc1c(F)cccc1F.
What is the InChIKey of 3-[(2,6-difluorophenyl)methylidene]-5-iodo-1H-indol-2-one?
The InChIKey is YGBDUIBNMHMVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2INO/c16-12-2-1-3-13(17)11(12)7-10-9-6-8(18)4-5-14(9)19-15(10)20/h1-7H,(H,19,20).
What are the key properties of 3-[(2,6-difluorophenyl)methylidene]-5-iodo-1H-indol-2-one?
3-[(2,6-difluorophenyl)methylidene]-5-iodo-1H-indol-2-one has a molecular weight of 383.14 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluorophenyl)methylidene]-5-iodo-1H-indol-2-one is sourced from PubChem (CID 57053949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).