3-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluoro-4-methylphenyl)benzamide

C18H15FN2O3 — CID 18166253

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluoro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c(F)c1
InChIInChI=1S/C18H15FN2O3/c1-11-5-6-15(14(19)9-11)20-18(24)12-3-2-4-13(10-12)21-16(22)7-8-17(21)23/h2-6,9-10H,7-8H2,1H3,(H,20,24)
InChIKeyOTHTVCAJWVRIPM-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.04
Rot. Bonds3

About 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluoro-4-methylphenyl)benzamide

3-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluoro-4-methylphenyl)benzamide (PubChem CID 18166253) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluoro-4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluoro-4-methylphenyl)benzamide
PubChem CID18166253
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluoro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c(F)c1
InChIInChI=1S/C18H15FN2O3/c1-11-5-6-15(14(19)9-11)20-18(24)12-3-2-4-13(10-12)21-16(22)7-8-17(21)23/h2-6,9-10H,7-8H2,1H3,(H,20,24)
InChIKeyOTHTVCAJWVRIPM-UHFFFAOYSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.04
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-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 7733040
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 18134910
N-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)benzamide
CID 26522930
3-(dimethylamino)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26522946
N-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27826911
N-(2-chloro-4,5-dimethoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 18139940
N-(2,5-dimethoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 4863774
dimethyl 2-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzene-1,4-dicarboxylate
CID 55341762
N-(2-fluoro-4-iodophenyl)-3-methylbenzamide
CID 17102075
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
CID 55788437
4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
CID 55163065
dimethyl 5-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 55345893

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluoro-4-methylphenyl)benzamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluoro-4-methylphenyl)benzamide (CID 18166253) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluoro-4-methylphenyl)benzamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluoro-4-methylphenyl)benzamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluoro-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c(F)c1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluoro-4-methylphenyl)benzamide?
The InChIKey is OTHTVCAJWVRIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-11-5-6-15(14(19)9-11)20-18(24)12-3-2-4-13(10-12)21-16(22)7-8-17(21)23/h2-6,9-10H,7-8H2,1H3,(H,20,24).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluoro-4-methylphenyl)benzamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluoro-4-methylphenyl)benzamide has a molecular weight of 326.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluoro-4-methylphenyl)benzamide is sourced from PubChem (CID 18166253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).