3-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide

C25H20ClN3O4 — CID 4669770

IUPAC3-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide
SMILESO=C(NN(C(=O)Cc1ccccc1)C1CC(=O)N(c2ccccc2)C1=O)c1cccc(Cl)c1
InChIInChI=1S/C25H20ClN3O4/c26-19-11-7-10-18(15-19)24(32)27-29(23(31)14-17-8-3-1-4-9-17)21-16-22(30)28(25(21)33)20-12-5-2-6-13-20/h1-13,15,21H,14,16H2,(H,27,32)
InChIKeyPYJOQIVYMIGMMF-UHFFFAOYSA-N
MW461.91 g/mol
LogP3.39
Rot. Bonds5

About 3-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide

3-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide (PubChem CID 4669770) has the molecular formula C25H20ClN3O4 and a molecular weight of 461.91 g/mol. Its IUPAC name is 3-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide
PubChem CID4669770
Molecular FormulaC25H20ClN3O4
Molecular Weight461.91 g/mol
Exact Mass461.11
IUPAC Name3-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide
SMILESO=C(NN(C(=O)Cc1ccccc1)C1CC(=O)N(c2ccccc2)C1=O)c1cccc(Cl)c1
InChIInChI=1S/C25H20ClN3O4/c26-19-11-7-10-18(15-19)24(32)27-29(23(31)14-17-8-3-1-4-9-17)21-16-22(30)28(25(21)33)20-12-5-2-6-13-20/h1-13,15,21H,14,16H2,(H,27,32)
InChIKeyPYJOQIVYMIGMMF-UHFFFAOYSA-N
XLogP3.39
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.91
LogP ≤ 53.39
H-Bond Donors ≤ 51
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

2,4-dichloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide
CID 3964815
N'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)pyridine-4-carbohydrazide
CID 5115041
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenylacetamide
CID 23943061
N-[(2-chlorophenyl)methyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenylacetamide
CID 23887054
2-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 5042843
2-ethyl-N'-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)butanehydrazide
CID 3658217
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 23998801
N-[2-(3-chlorophenyl)ethyl]-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23998853
N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)butanamide
CID 23998873
N-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 1364939
N'-benzoyl-N'-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3255352
4-methoxy-N-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide
CID 3836875

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide?
The IUPAC name of 3-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide (CID 4669770) is 3-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide.
What is the SMILES notation for 3-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide?
The canonical SMILES for 3-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide is O=C(NN(C(=O)Cc1ccccc1)C1CC(=O)N(c2ccccc2)C1=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide?
The InChIKey is PYJOQIVYMIGMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O4/c26-19-11-7-10-18(15-19)24(32)27-29(23(31)14-17-8-3-1-4-9-17)21-16-22(30)28(25(21)33)20-12-5-2-6-13-20/h1-13,15,21H,14,16H2,(H,27,32).
What are the key properties of 3-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide?
3-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide has a molecular weight of 461.91 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide is sourced from PubChem (CID 4669770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).