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

C18H15FN2O5 — CID 135693432

IUPAC(2R)-2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide
SMILESNC(=O)[C@@H](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)/t15-/m1/s1
InChIKeyOLIHQYOFKLBFKB-OAHLLOKOSA-N
MW358.33 g/mol
LogP0.85
Rot. Bonds6

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

(2R)-2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide (PubChem CID 135693432) has the molecular formula C18H15FN2O5 and a molecular weight of 358.33 g/mol. Its IUPAC name is (2R)-2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide
PubChem CID135693432
Molecular FormulaC18H15FN2O5
Molecular Weight358.33 g/mol
Exact Mass358.10
IUPAC Name(2R)-2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide
SMILESNC(=O)[C@@H](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)/t15-/m1/s1
InChIKeyOLIHQYOFKLBFKB-OAHLLOKOSA-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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Related Compounds

2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide
CID 22397104
2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]acetamide
CID 10018501
2-(2-ethylsulfanylethyl)-5-[(4-fluorophenyl)methoxy]isoindole-1,3-dione
CID 10172382
5-[(4-fluorophenyl)methoxy]-2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione
CID 22397082
2-amino-3-[4-[(4-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 170892261
ethyl 2-[6-[(4-fluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoate
CID 69035867
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
(2R)-2-[6-[(4-fluorophenyl)methoxy]-1-hydroxy-3-oxoisoquinolin-2-yl]propanamide
CID 90692877
2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]propanamide
CID 22641922
(4-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 3559613
3-[4-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 91686884
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)propanoate
CID 146201481

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide?
The IUPAC name of (2R)-2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide (CID 135693432) is (2R)-2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide.
What is the SMILES notation for (2R)-2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide?
The canonical SMILES for (2R)-2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide is NC(=O)[C@@H](CO)N1C(=O)c2ccc(OCc3ccc(F)cc3)cc2C1=O.
What is the InChIKey of (2R)-2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide?
The InChIKey is OLIHQYOFKLBFKB-OAHLLOKOSA-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)/t15-/m1/s1.
What are the key properties of (2R)-2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide?
(2R)-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 (2R)-2-[5-[(4-fluorophenyl)methoxy]-1,3-dioxoisoindol-2-yl]-3-hydroxypropanamide is sourced from PubChem (CID 135693432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).