2-[(2R)-3-(3,4-difluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione

C17H14F2N2O3 — CID 118063023

IUPAC2-[(2R)-3-(3,4-difluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C[C@H](O)CNc1ccc(F)c(F)c1
InChIInChI=1S/C17H14F2N2O3/c18-14-6-5-10(7-15(14)19)20-8-11(22)9-21-16(23)12-3-1-2-4-13(12)17(21)24/h1-7,11,20,22H,8-9H2/t11-/m1/s1
InChIKeyGIVSCIXIMQVZEJ-LLVKDONJSA-N
MW332.31 g/mol
LogP2.03
Rot. Bonds5

About 2-[(2R)-3-(3,4-difluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione

2-[(2R)-3-(3,4-difluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione (PubChem CID 118063023) has the molecular formula C17H14F2N2O3 and a molecular weight of 332.31 g/mol. Its IUPAC name is 2-[(2R)-3-(3,4-difluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2R)-3-(3,4-difluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione
PubChem CID118063023
Molecular FormulaC17H14F2N2O3
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC Name2-[(2R)-3-(3,4-difluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C[C@H](O)CNc1ccc(F)c(F)c1
InChIInChI=1S/C17H14F2N2O3/c18-14-6-5-10(7-15(14)19)20-8-11(22)9-21-16(23)12-3-1-2-4-13(12)17(21)24/h1-7,11,20,22H,8-9H2/t11-/m1/s1
InChIKeyGIVSCIXIMQVZEJ-LLVKDONJSA-N
XLogP2.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-(3,4-difluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2R)-3-(3,4-difluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione (CID 118063023) is 2-[(2R)-3-(3,4-difluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2R)-3-(3,4-difluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2R)-3-(3,4-difluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C[C@H](O)CNc1ccc(F)c(F)c1.
What is the InChIKey of 2-[(2R)-3-(3,4-difluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione?
The InChIKey is GIVSCIXIMQVZEJ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H14F2N2O3/c18-14-6-5-10(7-15(14)19)20-8-11(22)9-21-16(23)12-3-1-2-4-13(12)17(21)24/h1-7,11,20,22H,8-9H2/t11-/m1/s1.
What are the key properties of 2-[(2R)-3-(3,4-difluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione?
2-[(2R)-3-(3,4-difluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione has a molecular weight of 332.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-(3,4-difluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione is sourced from PubChem (CID 118063023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).