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

C18H15Cl2N3O3 — CID 46523041

IUPACN'-(4-chlorobenzoyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC(=O)N(c2ccccc2Cl)C1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15Cl2N3O3/c19-13-7-5-11(6-8-13)17(25)21-22-18(26)12-9-16(24)23(10-12)15-4-2-1-3-14(15)20/h1-8,12H,9-10H2,(H,21,25)(H,22,26)
InChIKeyLBWYDOJMDRGBFL-UHFFFAOYSA-N
MW392.24 g/mol
LogP2.81
Rot. Bonds3

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

N'-(4-chlorobenzoyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 46523041) has the molecular formula C18H15Cl2N3O3 and a molecular weight of 392.24 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID46523041
Molecular FormulaC18H15Cl2N3O3
Molecular Weight392.24 g/mol
Exact Mass391.05
IUPAC NameN'-(4-chlorobenzoyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC(=O)N(c2ccccc2Cl)C1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15Cl2N3O3/c19-13-7-5-11(6-8-13)17(25)21-22-18(26)12-9-16(24)23(10-12)15-4-2-1-3-14(15)20/h1-8,12H,9-10H2,(H,21,25)(H,22,26)
InChIKeyLBWYDOJMDRGBFL-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

(3R)-N'-(4-chlorobenzoyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9056246
(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550
N'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51179819
N'-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide
CID 46652377
(3S)-1-(2-chlorophenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 8832147
1-(4-chlorophenyl)-N'-(4-ethoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 55835061
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
(3S)-1-(2-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 35544399
(3R)-1-(2-chlorophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40976145
(3R)-N'-(3-chlorobenzoyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 7979073
(3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569551
(3R)-1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 26644337

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide (CID 46523041) is N'-(4-chlorobenzoyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide is O=C(NNC(=O)C1CC(=O)N(c2ccccc2Cl)C1)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is LBWYDOJMDRGBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3/c19-13-7-5-11(6-8-13)17(25)21-22-18(26)12-9-16(24)23(10-12)15-4-2-1-3-14(15)20/h1-8,12H,9-10H2,(H,21,25)(H,22,26).
What are the key properties of N'-(4-chlorobenzoyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide?
N'-(4-chlorobenzoyl)-1-(2-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'-(4-chlorobenzoyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 46523041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).