3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide

C23H17FN2O3 — CID 7774642

IUPAC3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
SMILESCc1ccc(F)cc1NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H17FN2O3/c1-14-9-10-17(24)12-20(14)25-21(27)16-6-4-5-15(11-16)13-26-22(28)18-7-2-3-8-19(18)23(26)29/h2-12H,13H2,1H3,(H,25,27)
InChIKeyXQZJPWWDQDOVCC-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.18
Rot. Bonds4

About 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide

3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide (PubChem CID 7774642) has the molecular formula C23H17FN2O3 and a molecular weight of 388.40 g/mol. Its IUPAC name is 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
PubChem CID7774642
Molecular FormulaC23H17FN2O3
Molecular Weight388.40 g/mol
Exact Mass388.12
IUPAC Name3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
SMILESCc1ccc(F)cc1NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H17FN2O3/c1-14-9-10-17(24)12-20(14)25-21(27)16-6-4-5-15(11-16)13-26-22(28)18-7-2-3-8-19(18)23(26)29/h2-12H,13H2,1H3,(H,25,27)
InChIKeyXQZJPWWDQDOVCC-UHFFFAOYSA-N
XLogP4.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.18
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

N-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9164957
N-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9146369
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide
CID 51548115
2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-N-propylbenzamide
CID 46543344
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 46651539
N-[1-(2,4-difluorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 112763749
N-(5-fluoro-2-methylphenyl)-3-methylbenzamide
CID 4522552
N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 8762375
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-ethoxyphenyl)benzamide
CID 60533789
N-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7961430
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 60510389
methyl 3-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-3-(4-fluorophenyl)propanoate
CID 55994649

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide?
The IUPAC name of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide (CID 7774642) is 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide.
What is the SMILES notation for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide?
The canonical SMILES for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide is Cc1ccc(F)cc1NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide?
The InChIKey is XQZJPWWDQDOVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3/c1-14-9-10-17(24)12-20(14)25-21(27)16-6-4-5-15(11-16)13-26-22(28)18-7-2-3-8-19(18)23(26)29/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide?
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide has a molecular weight of 388.40 g/mol, XLogP of 4.18, 4 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)methyl]-N-(5-fluoro-2-methylphenyl)benzamide is sourced from PubChem (CID 7774642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).