2-(1,3-dioxoisoindol-2-yl)-5-fluoro-N-methylbenzamide

C16H11FN2O3 — CID 168517272

IUPAC2-(1,3-dioxoisoindol-2-yl)-5-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(F)ccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H11FN2O3/c1-18-14(20)12-8-9(17)6-7-13(12)19-15(21)10-4-2-3-5-11(10)16(19)22/h2-8H,1H3,(H,18,20)
InChIKeyWBTIOXUWFKWDLM-UHFFFAOYSA-N
MW298.27 g/mol
LogP1.99
Rot. Bonds2

About 2-(1,3-dioxoisoindol-2-yl)-5-fluoro-N-methylbenzamide

2-(1,3-dioxoisoindol-2-yl)-5-fluoro-N-methylbenzamide (PubChem CID 168517272) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-5-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-5-fluoro-N-methylbenzamide
PubChem CID168517272
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-5-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(F)ccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H11FN2O3/c1-18-14(20)12-8-9(17)6-7-13(12)19-15(21)10-4-2-3-5-11(10)16(19)22/h2-8H,1H3,(H,18,20)
InChIKeyWBTIOXUWFKWDLM-UHFFFAOYSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 51.99
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

3-(1,3-dioxoisoindol-2-yl)-N,4-dimethylbenzamide
CID 168516556
2-(4-fluoro-2-methylphenyl)isoquinoline-1,3,4-trione
CID 101438439
5-fluoro-N-methyl-2-propan-2-ylbenzamide
CID 154975628
2-(4-fluorophenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 146122876
2-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzoic acid
CID 61406083
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 168517927
2-[2-(bromomethyl)-5-fluorophenyl]isoindole-1,3-dione
CID 11688576
2-(2-ethylphenyl)-5-fluoroisoindole-1,3-dione
CID 70261734
N-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7961430
2-[[2-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-2-methylpropanoic acid
CID 101120220
N-[3-[3-chloro-4-(1,3-dioxoisoindol-2-yl)anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 55726166
N-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)benzamide
CID 168516541

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-5-fluoro-N-methylbenzamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-5-fluoro-N-methylbenzamide (CID 168517272) is 2-(1,3-dioxoisoindol-2-yl)-5-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-5-fluoro-N-methylbenzamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-5-fluoro-N-methylbenzamide is CNC(=O)c1cc(F)ccc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-5-fluoro-N-methylbenzamide?
The InChIKey is WBTIOXUWFKWDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c1-18-14(20)12-8-9(17)6-7-13(12)19-15(21)10-4-2-3-5-11(10)16(19)22/h2-8H,1H3,(H,18,20).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-5-fluoro-N-methylbenzamide?
2-(1,3-dioxoisoindol-2-yl)-5-fluoro-N-methylbenzamide has a molecular weight of 298.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-5-fluoro-N-methylbenzamide is sourced from PubChem (CID 168517272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).