N'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide

C18H17N3O3 — CID 4101151

IUPACN'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide
SMILESO=C(NNC1CC(=O)N(Cc2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C18H17N3O3/c22-16-11-15(19-20-17(23)14-9-5-2-6-10-14)18(24)21(16)12-13-7-3-1-4-8-13/h1-10,15,19H,11-12H2,(H,20,23)
InChIKeyYUWYKRPWNSZYRS-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.25
Rot. Bonds5

About N'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide

N'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide (PubChem CID 4101151) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide
PubChem CID4101151
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide
SMILESO=C(NNC1CC(=O)N(Cc2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C18H17N3O3/c22-16-11-15(19-20-17(23)14-9-5-2-6-10-14)18(24)21(16)12-13-7-3-1-4-8-13/h1-10,15,19H,11-12H2,(H,20,23)
InChIKeyYUWYKRPWNSZYRS-UHFFFAOYSA-N
XLogP1.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.25
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'}

Analyze N'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzohydrazide
CID 2492890
N'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide
CID 3766254
N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 948119
N'-[(3S)-1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]-1,3-benzodioxole-5-carbohydrazide
CID 2492867
N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2119938
4-ethyl-N'-[(3R)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2492862
1-benzyl-3-(cyclohexylamino)pyrrolidine-2,5-dione
CID 155114952
N,N'-bis[(1-benzyl-2,5-dioxopyrrolidin-3-yl)methyl]oxamide
CID 11191037
(3S)-1-benzyl-3-(4-methylsulfanylanilino)pyrrolidine-2,5-dione
CID 25345840
(3R)-1-benzyl-3-(1,3-dioxo-1-phenylbutan-2-yl)pyrrolidine-2,5-dione
CID 139260110
[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium
CID 7456285
(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51620013

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide?
The IUPAC name of N'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide (CID 4101151) is N'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide.
What is the SMILES notation for N'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide?
The canonical SMILES for N'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide is O=C(NNC1CC(=O)N(Cc2ccccc2)C1=O)c1ccccc1.
What is the InChIKey of N'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide?
The InChIKey is YUWYKRPWNSZYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-16-11-15(19-20-17(23)14-9-5-2-6-10-14)18(24)21(16)12-13-7-3-1-4-8-13/h1-10,15,19H,11-12H2,(H,20,23).
What are the key properties of N'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide?
N'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide has a molecular weight of 323.35 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide is sourced from PubChem (CID 4101151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).