4-[[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzamide

C17H14FN3O3 — CID 9326089

IUPAC4-[[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzamide
SMILESNC(=O)c1ccc(N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C17H14FN3O3/c18-11-3-7-13(8-4-11)21-15(22)9-14(17(21)24)20-12-5-1-10(2-6-12)16(19)23/h1-8,14,20H,9H2,(H2,19,23)/t14-/m1/s1
InChIKeyNOSCVYAKTGZWGZ-CQSZACIVSA-N
MW327.32 g/mol
LogP1.67
Rot. Bonds4

About 4-[[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzamide

4-[[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzamide (PubChem CID 9326089) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is 4-[[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzamide
PubChem CID9326089
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name4-[[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzamide
SMILESNC(=O)c1ccc(N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C17H14FN3O3/c18-11-3-7-13(8-4-11)21-15(22)9-14(17(21)24)20-12-5-1-10(2-6-12)16(19)23/h1-8,14,20H,9H2,(H2,19,23)/t14-/m1/s1
InChIKeyNOSCVYAKTGZWGZ-CQSZACIVSA-N
XLogP1.67
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-chloroanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 2851413
1-(4-butylphenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 138958736
methyl 4-[(3S)-3-[4-(dimethylamino)anilino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 27762789
ethyl 4-[(3S)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1147346
4-[3-(3-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827237
(3S)-3-(4-bromoanilino)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
CID 31274782
(3S)-1-(4-bromophenyl)-3-(4-chloroanilino)pyrrolidine-2,5-dione
CID 1116618
3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione
CID 43410376
3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione
CID 2859195
(3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 98188351
(3R)-1-(4-fluorophenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 51860244
(3S)-1-(dimethylamino)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 872593

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzamide?
The IUPAC name of 4-[[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzamide (CID 9326089) is 4-[[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzamide.
What is the SMILES notation for 4-[[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzamide?
The canonical SMILES for 4-[[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzamide is NC(=O)c1ccc(N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of 4-[[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzamide?
The InChIKey is NOSCVYAKTGZWGZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H14FN3O3/c18-11-3-7-13(8-4-11)21-15(22)9-14(17(21)24)20-12-5-1-10(2-6-12)16(19)23/h1-8,14,20H,9H2,(H2,19,23)/t14-/m1/s1.
What are the key properties of 4-[[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzamide?
4-[[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzamide has a molecular weight of 327.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzamide is sourced from PubChem (CID 9326089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).