2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide

C18H15FN2O5 — CID 22397104

IUPAC2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide
SMILESNC(=O)C(CO)N1C(=O)c2ccc(OCc3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C18H15FN2O5/c19-11-3-1-10(2-4-11)9-26-12-5-6-13-14(7-12)18(25)21(17(13)24)15(8-22)16(20)23/h1-7,15,22H,8-9H2,(H2,20,23)
InChIKeyOLIHQYOFKLBFKB-UHFFFAOYSA-N
MW358.33 g/mol
LogP0.85
Rot. Bonds6

About 2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide

2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide (PubChem CID 22397104) has the molecular formula C18H15FN2O5 and a molecular weight of 358.33 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide
PubChem CID22397104
Molecular FormulaC18H15FN2O5
Molecular Weight358.33 g/mol
Exact Mass358.10
IUPAC Name2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide
SMILESNC(=O)C(CO)N1C(=O)c2ccc(OCc3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C18H15FN2O5/c19-11-3-1-10(2-4-11)9-26-12-5-6-13-14(7-12)18(25)21(17(13)24)15(8-22)16(20)23/h1-7,15,22H,8-9H2,(H2,20,23)
InChIKeyOLIHQYOFKLBFKB-UHFFFAOYSA-N
XLogP0.85
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide?
The IUPAC name of 2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide (CID 22397104) is 2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide is NC(=O)C(CO)N1C(=O)c2ccc(OCc3ccc(F)cc3)cc2C1=O.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide?
The InChIKey is OLIHQYOFKLBFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O5/c19-11-3-1-10(2-4-11)9-26-12-5-6-13-14(7-12)18(25)21(17(13)24)15(8-22)16(20)23/h1-7,15,22H,8-9H2,(H2,20,23).
What are the key properties of 2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide?
2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide has a molecular weight of 358.33 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide is sourced from PubChem (CID 22397104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).