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

C23H18ClN3O4S — CID 5042843

IUPAC2-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-thiophen-2-ylacetyl)benzohydrazide
SMILESO=C(NN(C(=O)Cc1cccs1)C1CC(=O)N(c2ccccc2)C1=O)c1ccccc1Cl
InChIInChI=1S/C23H18ClN3O4S/c24-18-11-5-4-10-17(18)22(30)25-27(21(29)13-16-9-6-12-32-16)19-14-20(28)26(23(19)31)15-7-2-1-3-8-15/h1-12,19H,13-14H2,(H,25,30)
InChIKeyLBILVAXFOMTKNC-UHFFFAOYSA-N
MW467.93 g/mol
LogP3.45
Rot. Bonds5

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

2-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-thiophen-2-ylacetyl)benzohydrazide (PubChem CID 5042843) has the molecular formula C23H18ClN3O4S and a molecular weight of 467.93 g/mol. Its IUPAC name is 2-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-thiophen-2-ylacetyl)benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-thiophen-2-ylacetyl)benzohydrazide
PubChem CID5042843
Molecular FormulaC23H18ClN3O4S
Molecular Weight467.93 g/mol
Exact Mass467.07
IUPAC Name2-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-thiophen-2-ylacetyl)benzohydrazide
SMILESO=C(NN(C(=O)Cc1cccs1)C1CC(=O)N(c2ccccc2)C1=O)c1ccccc1Cl
InChIInChI=1S/C23H18ClN3O4S/c24-18-11-5-4-10-17(18)22(30)25-27(21(29)13-16-9-6-12-32-16)19-14-20(28)26(23(19)31)15-7-2-1-3-8-15/h1-12,19H,13-14H2,(H,25,30)
InChIKeyLBILVAXFOMTKNC-UHFFFAOYSA-N
XLogP3.45
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.93
LogP ≤ 53.45
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'}

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Related Compounds

2,4-dichloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide
CID 3964815
3-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide
CID 4669770
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-nitro-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 5033463
N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 3296136
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 23916590
N-[1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-methoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 3978489
N-[(2-chlorophenyl)methyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenylacetamide
CID 23887054
2-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 23970967
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylnaphthalene-1-carbohydrazide
CID 5135838
N'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)pyridine-4-carbohydrazide
CID 5115041
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 23943015
N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 25039680

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
The IUPAC name of 2-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-thiophen-2-ylacetyl)benzohydrazide (CID 5042843) is 2-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-thiophen-2-ylacetyl)benzohydrazide.
What is the SMILES notation for 2-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
The canonical SMILES for 2-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-thiophen-2-ylacetyl)benzohydrazide is O=C(NN(C(=O)Cc1cccs1)C1CC(=O)N(c2ccccc2)C1=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
The InChIKey is LBILVAXFOMTKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O4S/c24-18-11-5-4-10-17(18)22(30)25-27(21(29)13-16-9-6-12-32-16)19-14-20(28)26(23(19)31)15-7-2-1-3-8-15/h1-12,19H,13-14H2,(H,25,30).
What are the key properties of 2-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
2-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-thiophen-2-ylacetyl)benzohydrazide has a molecular weight of 467.93 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-thiophen-2-ylacetyl)benzohydrazide is sourced from PubChem (CID 5042843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).