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

C19H17FN2O5 — CID 22397115

IUPAC4-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxybutanamide
SMILESNC(=O)CC(O)CN1C(=O)c2ccc(OCc3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C19H17FN2O5/c20-12-3-1-11(2-4-12)10-27-14-5-6-15-16(8-14)19(26)22(18(15)25)9-13(23)7-17(21)24/h1-6,8,13,23H,7,9-10H2,(H2,21,24)
InChIKeyRRHPWOQRLHFUBQ-UHFFFAOYSA-N
MW372.35 g/mol
LogP1.24
Rot. Bonds7

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

4-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxybutanamide (PubChem CID 22397115) has the molecular formula C19H17FN2O5 and a molecular weight of 372.35 g/mol. Its IUPAC name is 4-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxybutanamide.

Molecular Properties

Compound Name4-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxybutanamide
PubChem CID22397115
Molecular FormulaC19H17FN2O5
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name4-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxybutanamide
SMILESNC(=O)CC(O)CN1C(=O)c2ccc(OCc3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C19H17FN2O5/c20-12-3-1-11(2-4-12)10-27-14-5-6-15-16(8-14)19(26)22(18(15)25)9-13(23)7-17(21)24/h1-6,8,13,23H,7,9-10H2,(H2,21,24)
InChIKeyRRHPWOQRLHFUBQ-UHFFFAOYSA-N
XLogP1.24
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 51.24
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 4-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxybutanamide?
The IUPAC name of 4-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxybutanamide (CID 22397115) is 4-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxybutanamide.
What is the SMILES notation for 4-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxybutanamide?
The canonical SMILES for 4-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxybutanamide is NC(=O)CC(O)CN1C(=O)c2ccc(OCc3ccc(F)cc3)cc2C1=O.
What is the InChIKey of 4-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxybutanamide?
The InChIKey is RRHPWOQRLHFUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O5/c20-12-3-1-11(2-4-12)10-27-14-5-6-15-16(8-14)19(26)22(18(15)25)9-13(23)7-17(21)24/h1-6,8,13,23H,7,9-10H2,(H2,21,24).
What are the key properties of 4-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxybutanamide?
4-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxybutanamide has a molecular weight of 372.35 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxybutanamide is sourced from PubChem (CID 22397115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).