4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide

C15H11FN2O3 — CID 122639404

IUPAC4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide
SMILESO=C(Nc1ccc(O)c2c1C(=O)NC2)c1ccc(F)cc1
InChIInChI=1S/C15H11FN2O3/c16-9-3-1-8(2-4-9)14(20)18-11-5-6-12(19)10-7-17-15(21)13(10)11/h1-6,19H,7H2,(H,17,21)(H,18,20)
InChIKeyZTYGUJIYKOFFNY-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.03
Rot. Bonds2

About 4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide

4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide (PubChem CID 122639404) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide
PubChem CID122639404
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide
SMILESO=C(Nc1ccc(O)c2c1C(=O)NC2)c1ccc(F)cc1
InChIInChI=1S/C15H11FN2O3/c16-9-3-1-8(2-4-9)14(20)18-11-5-6-12(19)10-7-17-15(21)13(10)11/h1-6,19H,7H2,(H,17,21)(H,18,20)
InChIKeyZTYGUJIYKOFFNY-UHFFFAOYSA-N
XLogP2.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[3-oxo-7-(pyrazin-2-ylamino)-1,2-dihydroisoindol-4-yl]benzamide
CID 122639231
N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-fluorobenzamide
CID 122639167
4-fluoro-N-(3-oxo-7-quinolin-6-yl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639250
4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide
CID 122639159
N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639240
N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide
CID 122639255
N-[7-(2-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639387
N-(7-bromo-3-oxo-1,2-dihydroisoindol-4-yl)-4-[2-(dimethylamino)ethylamino]benzamide
CID 122639354
N-(3-oxo-7-pyridin-3-yl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639225
N-[7-(3-methylanilino)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639190
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide?
The IUPAC name of 4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide (CID 122639404) is 4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide is O=C(Nc1ccc(O)c2c1C(=O)NC2)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide?
The InChIKey is ZTYGUJIYKOFFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-9-3-1-8(2-4-9)14(20)18-11-5-6-12(19)10-7-17-15(21)13(10)11/h1-6,19H,7H2,(H,17,21)(H,18,20).
What are the key properties of 4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide?
4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide has a molecular weight of 286.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide is sourced from PubChem (CID 122639404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).