3-(1,3-dioxoisoindol-2-yl)-5-fluorobenzamide

C15H9FN2O3 — CID 168517087

IUPAC3-(1,3-dioxoisoindol-2-yl)-5-fluorobenzamide
SMILESNC(=O)c1cc(F)cc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C15H9FN2O3/c16-9-5-8(13(17)19)6-10(7-9)18-14(20)11-3-1-2-4-12(11)15(18)21/h1-7H,(H2,17,19)
InChIKeyZZKQZUBMEUEJQV-UHFFFAOYSA-N
MW284.25 g/mol
LogP1.73
Rot. Bonds2

About 3-(1,3-dioxoisoindol-2-yl)-5-fluorobenzamide

3-(1,3-dioxoisoindol-2-yl)-5-fluorobenzamide (PubChem CID 168517087) has the molecular formula C15H9FN2O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-5-fluorobenzamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-5-fluorobenzamide
PubChem CID168517087
Molecular FormulaC15H9FN2O3
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-5-fluorobenzamide
SMILESNC(=O)c1cc(F)cc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C15H9FN2O3/c16-9-5-8(13(17)19)6-10(7-9)18-14(20)11-3-1-2-4-12(11)15(18)21/h1-7H,(H2,17,19)
InChIKeyZZKQZUBMEUEJQV-UHFFFAOYSA-N
XLogP1.73
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(1,3-dioxoisoindol-2-yl) 3,5-difluorobenzoate
CID 154719363
4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
CID 1162393
5-(1,3-dioxoisoindol-2-yl)-2-fluorobenzenecarbothioamide
CID 62316839
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
CID 19177394
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 168516425
4-(1,3-dioxoisoindol-2-yl)-2-nitrobenzamide
CID 168518775
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
2-(1,3-dioxoisoindol-2-yl)ethyl 3,5-difluorobenzoate
CID 4545184
2-[3-(2-bromoacetyl)phenyl]isoindole-1,3-dione
CID 20552173
5-amino-2-(3-fluoro-5-methylphenyl)isoindole-1,3-dione
CID 79049356
2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione
CID 168517354

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-5-fluorobenzamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-5-fluorobenzamide (CID 168517087) is 3-(1,3-dioxoisoindol-2-yl)-5-fluorobenzamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-5-fluorobenzamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-5-fluorobenzamide is NC(=O)c1cc(F)cc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-5-fluorobenzamide?
The InChIKey is ZZKQZUBMEUEJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O3/c16-9-5-8(13(17)19)6-10(7-9)18-14(20)11-3-1-2-4-12(11)15(18)21/h1-7H,(H2,17,19).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-5-fluorobenzamide?
3-(1,3-dioxoisoindol-2-yl)-5-fluorobenzamide has a molecular weight of 284.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-5-fluorobenzamide is sourced from PubChem (CID 168517087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).