4-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide

C16H11FN2O3 — CID 22481659

IUPAC4-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide
SMILESNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1F
InChIInChI=1S/C16H11FN2O3/c17-13-7-9(5-6-12(13)14(18)20)8-19-15(21)10-3-1-2-4-11(10)16(19)22/h1-7H,8H2,(H2,18,20)
InChIKeyYPYSGDOXJODEOW-UHFFFAOYSA-N
MW298.27 g/mol
LogP1.72
Rot. Bonds3

About 4-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide

4-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide (PubChem CID 22481659) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is 4-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide
PubChem CID22481659
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC Name4-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide
SMILESNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1F
InChIInChI=1S/C16H11FN2O3/c17-13-7-9(5-6-12(13)14(18)20)8-19-15(21)10-3-1-2-4-11(10)16(19)22/h1-7H,8H2,(H2,18,20)
InChIKeyYPYSGDOXJODEOW-UHFFFAOYSA-N
XLogP1.72
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 51.72
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-(4-carbamoyl-3-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid
CID 174189079
2-[(3-fluoro-4-methylsulfonylphenyl)methyl]isoindole-1,3-dione
CID 86711602
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
2-fluoro-4-(2-fluorophenyl)benzamide
CID 46312270
2-[(3,4,5-trihydroxyphenyl)methyl]isoindole-1,3-dione
CID 91971420
2-fluoro-4-propylbenzamide
CID 175786906
2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenoxy]acetamide
CID 71935665
2-[[3-(4-fluorophenyl)phenyl]methyl]isoindole-1,3-dione
CID 174552693
4-amino-2-[(3-fluoro-4-methylphenyl)methyl]isoindole-1,3-dione
CID 63644863
2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732
2-[(2,3,5,6-tetrafluorophenyl)methyl]isoindole-1,3-dione
CID 126720986
2-methoxyethyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate
CID 46541751

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide?
The IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide (CID 22481659) is 4-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 4-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide?
The canonical SMILES for 4-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide is NC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1F.
What is the InChIKey of 4-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide?
The InChIKey is YPYSGDOXJODEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c17-13-7-9(5-6-12(13)14(18)20)8-19-15(21)10-3-1-2-4-11(10)16(19)22/h1-7H,8H2,(H2,18,20).
What are the key properties of 4-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide?
4-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide has a molecular weight of 298.27 g/mol, XLogP of 1.72, 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)methyl]-2-fluorobenzamide is sourced from PubChem (CID 22481659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).