N'-benzoyl-2-chloro-N-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide

C25H20ClN3O5 — CID 3896161

IUPACN'-benzoyl-2-chloro-N-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
SMILESCOc1ccccc1N1C(=O)CC(N(NC(=O)c2ccccc2)C(=O)c2ccccc2Cl)C1=O
InChIInChI=1S/C25H20ClN3O5/c1-34-21-14-8-7-13-19(21)28-22(30)15-20(25(28)33)29(24(32)17-11-5-6-12-18(17)26)27-23(31)16-9-3-2-4-10-16/h2-14,20H,15H2,1H3,(H,27,31)
InChIKeyJJZUSETVDTUYAU-UHFFFAOYSA-N
MW477.90 g/mol
LogP3.47
Rot. Bonds5

About N'-benzoyl-2-chloro-N-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide

N'-benzoyl-2-chloro-N-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide (PubChem CID 3896161) has the molecular formula C25H20ClN3O5 and a molecular weight of 477.90 g/mol. Its IUPAC name is N'-benzoyl-2-chloro-N-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-2-chloro-N-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
PubChem CID3896161
Molecular FormulaC25H20ClN3O5
Molecular Weight477.90 g/mol
Exact Mass477.11
IUPAC NameN'-benzoyl-2-chloro-N-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
SMILESCOc1ccccc1N1C(=O)CC(N(NC(=O)c2ccccc2)C(=O)c2ccccc2Cl)C1=O
InChIInChI=1S/C25H20ClN3O5/c1-34-21-14-8-7-13-19(21)28-22(30)15-20(25(28)33)29(24(32)17-11-5-6-12-18(17)26)27-23(31)16-9-3-2-4-10-16/h2-14,20H,15H2,1H3,(H,27,31)
InChIKeyJJZUSETVDTUYAU-UHFFFAOYSA-N
XLogP3.47
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.90
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-benzoyl-2-chloro-N-[1-(2-methoxyphenyl)-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'-(4-chlorobenzoyl)-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 3983480
N'-benzoyl-N'-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3255352
N'-benzoyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzohydrazide
CID 3696838
N'-benzoyl-4-methoxy-N'-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3894788
N'-benzoyl-N-[1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 5115038
N'-acetyl-N'-[1-(2,5-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzohydrazide
CID 5019234
(3R)-3-[benzyl(methyl)amino]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 754275
2-fluoro-N'-(4-methoxybenzoyl)-N-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3975852
N'-benzoyl-N'-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 4242541
N-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 3350387
N'-benzoyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitrobenzohydrazide
CID 3294111
N'-(4-chlorobenzoyl)-N-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide
CID 3406675

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-2-chloro-N-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The IUPAC name of N'-benzoyl-2-chloro-N-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide (CID 3896161) is N'-benzoyl-2-chloro-N-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide.
What is the SMILES notation for N'-benzoyl-2-chloro-N-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The canonical SMILES for N'-benzoyl-2-chloro-N-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide is COc1ccccc1N1C(=O)CC(N(NC(=O)c2ccccc2)C(=O)c2ccccc2Cl)C1=O.
What is the InChIKey of N'-benzoyl-2-chloro-N-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The InChIKey is JJZUSETVDTUYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O5/c1-34-21-14-8-7-13-19(21)28-22(30)15-20(25(28)33)29(24(32)17-11-5-6-12-18(17)26)27-23(31)16-9-3-2-4-10-16/h2-14,20H,15H2,1H3,(H,27,31).
What are the key properties of N'-benzoyl-2-chloro-N-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
N'-benzoyl-2-chloro-N-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide has a molecular weight of 477.90 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-2-chloro-N-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide is sourced from PubChem (CID 3896161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).