N'-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzohydrazide

C18H16FN3O3 — CID 2492890

IUPACN'-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzohydrazide
SMILESO=C(NN[C@@H]1CC(=O)N(Cc2ccccc2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3/c19-14-8-6-13(7-9-14)17(24)21-20-15-10-16(23)22(18(15)25)11-12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,21,24)/t15-/m1/s1
InChIKeyPDNVRTCAPDBXSS-OAHLLOKOSA-N
MW341.34 g/mol
LogP1.39
Rot. Bonds5

About N'-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzohydrazide

N'-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzohydrazide (PubChem CID 2492890) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is N'-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzohydrazide
PubChem CID2492890
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC NameN'-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzohydrazide
SMILESO=C(NN[C@@H]1CC(=O)N(Cc2ccccc2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3/c19-14-8-6-13(7-9-14)17(24)21-20-15-10-16(23)22(18(15)25)11-12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,21,24)/t15-/m1/s1
InChIKeyPDNVRTCAPDBXSS-OAHLLOKOSA-N
XLogP1.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide
CID 4101151
N'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide
CID 3766254
N'-[(3S)-1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]-1,3-benzodioxole-5-carbohydrazide
CID 2492867
N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 948119
4-ethyl-N'-[(3R)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2492862
1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370694
(3S)-1-benzyl-3-(4-methylsulfanylanilino)pyrrolidine-2,5-dione
CID 25345840
N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2119938
1-benzyl-3-(cyclohexylamino)pyrrolidine-2,5-dione
CID 155114952
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 3836618
(3S)-1-benzyl-3-[4-(4-fluorophenyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 7357524
N,N'-bis[(1-benzyl-2,5-dioxopyrrolidin-3-yl)methyl]oxamide
CID 11191037

Frequently Asked Questions

What is the IUPAC name of N'-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzohydrazide (CID 2492890) is N'-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzohydrazide is O=C(NN[C@@H]1CC(=O)N(Cc2ccccc2)C1=O)c1ccc(F)cc1.
What is the InChIKey of N'-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzohydrazide?
The InChIKey is PDNVRTCAPDBXSS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H16FN3O3/c19-14-8-6-13(7-9-14)17(24)21-20-15-10-16(23)22(18(15)25)11-12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,21,24)/t15-/m1/s1.
What are the key properties of N'-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzohydrazide?
N'-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzohydrazide has a molecular weight of 341.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzohydrazide is sourced from PubChem (CID 2492890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).