4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide

C21H13FN2O3 — CID 1068099

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H13FN2O3/c22-14-7-9-15(10-8-14)23-19(25)13-5-11-16(12-6-13)24-20(26)17-3-1-2-4-18(17)21(24)27/h1-12H,(H,23,25)
InChIKeyAGLXPDUJQRENRO-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.88
Rot. Bonds3

About 4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide

4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide (PubChem CID 1068099) has the molecular formula C21H13FN2O3 and a molecular weight of 360.34 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
PubChem CID1068099
Molecular FormulaC21H13FN2O3
Molecular Weight360.34 g/mol
Exact Mass360.09
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H13FN2O3/c22-14-7-9-15(10-8-14)23-19(25)13-5-11-16(12-6-13)24-20(26)17-3-1-2-4-18(17)21(24)27/h1-12H,(H,23,25)
InChIKeyAGLXPDUJQRENRO-UHFFFAOYSA-N
XLogP3.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.88
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

4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
CID 1162393
methyl 4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]carbamoyl]benzoate
CID 998530
4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide
CID 1188829
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-4-nitrobenzamide
CID 3956330
N-[4-(cyanomethyl)phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 9260093
4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide
CID 2768248
N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 9096856
4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(4-fluorophenyl)benzamide
CID 2932945
4-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-(4-fluorophenyl)benzamide
CID 1292911
3-bromo-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide
CID 22777543
4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide
CID 9402903
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 108765885

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide (CID 1068099) is 4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide is O=C(Nc1ccc(F)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide?
The InChIKey is AGLXPDUJQRENRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN2O3/c22-14-7-9-15(10-8-14)23-19(25)13-5-11-16(12-6-13)24-20(26)17-3-1-2-4-18(17)21(24)27/h1-12H,(H,23,25).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide?
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide has a molecular weight of 360.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 1068099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).