N'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide

C18H15Cl2N3O3 — CID 51179819

IUPACN'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1Cl
InChIInChI=1S/C18H15Cl2N3O3/c19-12-5-7-13(8-6-12)23-10-11(9-16(23)24)17(25)21-22-18(26)14-3-1-2-4-15(14)20/h1-8,11H,9-10H2,(H,21,25)(H,22,26)
InChIKeyPAZPPFQIKQIQKN-UHFFFAOYSA-N
MW392.24 g/mol
LogP2.81
Rot. Bonds3

About N'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide

N'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 51179819) has the molecular formula C18H15Cl2N3O3 and a molecular weight of 392.24 g/mol. Its IUPAC name is N'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID51179819
Molecular FormulaC18H15Cl2N3O3
Molecular Weight392.24 g/mol
Exact Mass391.05
IUPAC NameN'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1Cl
InChIInChI=1S/C18H15Cl2N3O3/c19-12-5-7-13(8-6-12)23-10-11(9-16(23)24)17(25)21-22-18(26)14-3-1-2-4-15(14)20/h1-8,11H,9-10H2,(H,21,25)(H,22,26)
InChIKeyPAZPPFQIKQIQKN-UHFFFAOYSA-N
XLogP2.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51145340
1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55870262
N'-(4-chlorobenzoyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 46523041
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 4002741
(3R)-N'-(2-bromobenzoyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 35552842
1-(4-chlorophenyl)-N'-(4-ethoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 55835061
N'-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 55834674
(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074
(3S)-N'-(5-chloro-2-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9472189
(3S)-1-(4-chlorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 805632
(3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 774003

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of N'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide (CID 51179819) is N'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for N'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for N'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide is O=C(NNC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1Cl.
What is the InChIKey of N'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is PAZPPFQIKQIQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3/c19-12-5-7-13(8-6-12)23-10-11(9-16(23)24)17(25)21-22-18(26)14-3-1-2-4-15(14)20/h1-8,11H,9-10H2,(H,21,25)(H,22,26).
What are the key properties of N'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide?
N'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 392.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 51179819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).