2-amino-2-(4-fluorophenyl)-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)propanamide

C17H16FN3O3 — CID 70328259

IUPAC2-amino-2-(4-fluorophenyl)-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)propanamide
SMILESNC(=O)C(N)(CN1Cc2cc(O)ccc2C1=O)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O3/c18-12-3-1-11(2-4-12)17(20,16(19)24)9-21-8-10-7-13(22)5-6-14(10)15(21)23/h1-7,22H,8-9,20H2,(H2,19,24)
InChIKeyLBNFBQQFWMQLGV-UHFFFAOYSA-N
MW329.33 g/mol
LogP0.83
Rot. Bonds4

About 2-amino-2-(4-fluorophenyl)-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)propanamide

2-amino-2-(4-fluorophenyl)-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)propanamide (PubChem CID 70328259) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 2-amino-2-(4-fluorophenyl)-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)propanamide.

Molecular Properties

Compound Name2-amino-2-(4-fluorophenyl)-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)propanamide
PubChem CID70328259
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name2-amino-2-(4-fluorophenyl)-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)propanamide
SMILESNC(=O)C(N)(CN1Cc2cc(O)ccc2C1=O)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O3/c18-12-3-1-11(2-4-12)17(20,16(19)24)9-21-8-10-7-13(22)5-6-14(10)15(21)23/h1-7,22H,8-9,20H2,(H2,19,24)
InChIKeyLBNFBQQFWMQLGV-UHFFFAOYSA-N
XLogP0.83
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-fluorophenyl)-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)propanamide?
The IUPAC name of 2-amino-2-(4-fluorophenyl)-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)propanamide (CID 70328259) is 2-amino-2-(4-fluorophenyl)-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)propanamide.
What is the SMILES notation for 2-amino-2-(4-fluorophenyl)-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)propanamide?
The canonical SMILES for 2-amino-2-(4-fluorophenyl)-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)propanamide is NC(=O)C(N)(CN1Cc2cc(O)ccc2C1=O)c1ccc(F)cc1.
What is the InChIKey of 2-amino-2-(4-fluorophenyl)-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)propanamide?
The InChIKey is LBNFBQQFWMQLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c18-12-3-1-11(2-4-12)17(20,16(19)24)9-21-8-10-7-13(22)5-6-14(10)15(21)23/h1-7,22H,8-9,20H2,(H2,19,24).
What are the key properties of 2-amino-2-(4-fluorophenyl)-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)propanamide?
2-amino-2-(4-fluorophenyl)-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)propanamide has a molecular weight of 329.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-fluorophenyl)-3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 70328259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).