2-[(2-fluoro-4-iodoanilino)methyl]isoindole-1,3-dione

C15H10FIN2O2 — CID 2731029

IUPAC2-[(2-fluoro-4-iodoanilino)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CNc1ccc(I)cc1F
InChIInChI=1S/C15H10FIN2O2/c16-12-7-9(17)5-6-13(12)18-8-19-14(20)10-3-1-2-4-11(10)15(19)21/h1-7,18H,8H2
InChIKeyDOLZIIYJOLPNMW-UHFFFAOYSA-N
MW396.16 g/mol
LogP3.10
Rot. Bonds3

About 2-[(2-fluoro-4-iodoanilino)methyl]isoindole-1,3-dione

2-[(2-fluoro-4-iodoanilino)methyl]isoindole-1,3-dione (PubChem CID 2731029) has the molecular formula C15H10FIN2O2 and a molecular weight of 396.16 g/mol. Its IUPAC name is 2-[(2-fluoro-4-iodoanilino)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2-fluoro-4-iodoanilino)methyl]isoindole-1,3-dione
PubChem CID2731029
Molecular FormulaC15H10FIN2O2
Molecular Weight396.16 g/mol
Exact Mass395.98
IUPAC Name2-[(2-fluoro-4-iodoanilino)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CNc1ccc(I)cc1F
InChIInChI=1S/C15H10FIN2O2/c16-12-7-9(17)5-6-13(12)18-8-19-14(20)10-3-1-2-4-11(10)15(19)21/h1-7,18H,8H2
InChIKeyDOLZIIYJOLPNMW-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.16
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chloro-4-fluoroanilino)methyl]isoindole-1,3-dione
CID 692659
2-[4-(2,4-difluoroanilino)butyl]isoindole-1,3-dione
CID 3920815
N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2711737
N-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9164957
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2554656
2-(1,3-dioxoisoindol-2-yl)-N-(4-iodophenyl)ethanesulfonamide
CID 45379603
2-[(3-chloro-4-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione
CID 103042234
2-[(2,3,5,6-tetrafluorophenyl)methyl]isoindole-1,3-dione
CID 126720986
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(4-iodo-2-methylphenyl)urea
CID 108889428
2-[(4-phenoxyanilino)methyl]isoindole-1,3-dione
CID 708373
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
5-iodo-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
CID 79785414

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-iodoanilino)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2-fluoro-4-iodoanilino)methyl]isoindole-1,3-dione (CID 2731029) is 2-[(2-fluoro-4-iodoanilino)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2-fluoro-4-iodoanilino)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2-fluoro-4-iodoanilino)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CNc1ccc(I)cc1F.
What is the InChIKey of 2-[(2-fluoro-4-iodoanilino)methyl]isoindole-1,3-dione?
The InChIKey is DOLZIIYJOLPNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FIN2O2/c16-12-7-9(17)5-6-13(12)18-8-19-14(20)10-3-1-2-4-11(10)15(19)21/h1-7,18H,8H2.
What are the key properties of 2-[(2-fluoro-4-iodoanilino)methyl]isoindole-1,3-dione?
2-[(2-fluoro-4-iodoanilino)methyl]isoindole-1,3-dione has a molecular weight of 396.16 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-4-iodoanilino)methyl]isoindole-1,3-dione is sourced from PubChem (CID 2731029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).