2,4-dichloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide

C25H19Cl2N3O4 — CID 3964815

IUPAC2,4-dichloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide
SMILESO=C(NN(C(=O)Cc1ccccc1)C1CC(=O)N(c2ccccc2)C1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H19Cl2N3O4/c26-17-11-12-19(20(27)14-17)24(33)28-30(23(32)13-16-7-3-1-4-8-16)21-15-22(31)29(25(21)34)18-9-5-2-6-10-18/h1-12,14,21H,13,15H2,(H,28,33)
InChIKeyPWCDMQPTMAULJG-UHFFFAOYSA-N
MW496.35 g/mol
LogP4.04
Rot. Bonds5

About 2,4-dichloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide

2,4-dichloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide (PubChem CID 3964815) has the molecular formula C25H19Cl2N3O4 and a molecular weight of 496.35 g/mol. Its IUPAC name is 2,4-dichloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide.

Molecular Properties

Compound Name2,4-dichloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide
PubChem CID3964815
Molecular FormulaC25H19Cl2N3O4
Molecular Weight496.35 g/mol
Exact Mass495.08
IUPAC Name2,4-dichloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide
SMILESO=C(NN(C(=O)Cc1ccccc1)C1CC(=O)N(c2ccccc2)C1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H19Cl2N3O4/c26-17-11-12-19(20(27)14-17)24(33)28-30(23(32)13-16-7-3-1-4-8-16)21-15-22(31)29(25(21)34)18-9-5-2-6-10-18/h1-12,14,21H,13,15H2,(H,28,33)
InChIKeyPWCDMQPTMAULJG-UHFFFAOYSA-N
XLogP4.04
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.35
LogP ≤ 54.04
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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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide?
The IUPAC name of 2,4-dichloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide (CID 3964815) is 2,4-dichloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide.
What is the SMILES notation for 2,4-dichloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide?
The canonical SMILES for 2,4-dichloro-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)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide?
The InChIKey is PWCDMQPTMAULJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N3O4/c26-17-11-12-19(20(27)14-17)24(33)28-30(23(32)13-16-7-3-1-4-8-16)21-15-22(31)29(25(21)34)18-9-5-2-6-10-18/h1-12,14,21H,13,15H2,(H,28,33).
What are the key properties of 2,4-dichloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide?
2,4-dichloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide has a molecular weight of 496.35 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide is sourced from PubChem (CID 3964815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).