N-(3-fluorophenyl)-4-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide

C18H15FN2O3 — CID 727118

IUPACN-(3-fluorophenyl)-4-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide
SMILESC[C@H]1CC(=O)N(c2ccc(C(=O)Nc3cccc(F)c3)cc2)C1=O
InChIInChI=1S/C18H15FN2O3/c1-11-9-16(22)21(18(11)24)15-7-5-12(6-8-15)17(23)20-14-4-2-3-13(19)10-14/h2-8,10-11H,9H2,1H3,(H,20,23)/t11-/m0/s1
InChIKeyVFDICIVVDCFHNE-NSHDSACASA-N
MW326.33 g/mol
LogP2.98
Rot. Bonds3

About N-(3-fluorophenyl)-4-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide

N-(3-fluorophenyl)-4-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide (PubChem CID 727118) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide
PubChem CID727118
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC NameN-(3-fluorophenyl)-4-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide
SMILESC[C@H]1CC(=O)N(c2ccc(C(=O)Nc3cccc(F)c3)cc2)C1=O
InChIInChI=1S/C18H15FN2O3/c1-11-9-16(22)21(18(11)24)15-7-5-12(6-8-15)17(23)20-14-4-2-3-13(19)10-14/h2-8,10-11H,9H2,1H3,(H,20,23)/t11-/m0/s1
InChIKeyVFDICIVVDCFHNE-NSHDSACASA-N
XLogP2.98
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 ≤ 52.98
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-(3-fluorophenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42349780
4-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-fluorophenyl)benzamide
CID 45270654
N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide
CID 110295195
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide
CID 18552976
methyl 4-[(3S)-3-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1109149
4-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 7829632
N-(3-fluorophenyl)-4-(methylamino)benzamide
CID 62166900
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
CID 9412634
4-[(3R)-3-[N'-ethyl-N-(3-fluorophenyl)carbamimidoyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 34361386
4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648
N-(3-acetamidophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824444

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide?
The IUPAC name of N-(3-fluorophenyl)-4-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide (CID 727118) is N-(3-fluorophenyl)-4-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide?
The canonical SMILES for N-(3-fluorophenyl)-4-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide is C[C@H]1CC(=O)N(c2ccc(C(=O)Nc3cccc(F)c3)cc2)C1=O.
What is the InChIKey of N-(3-fluorophenyl)-4-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide?
The InChIKey is VFDICIVVDCFHNE-NSHDSACASA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-11-9-16(22)21(18(11)24)15-7-5-12(6-8-15)17(23)20-14-4-2-3-13(19)10-14/h2-8,10-11H,9H2,1H3,(H,20,23)/t11-/m0/s1.
What are the key properties of N-(3-fluorophenyl)-4-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide?
N-(3-fluorophenyl)-4-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide has a molecular weight of 326.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide is sourced from PubChem (CID 727118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).