N'-(4-chlorophenyl)-4-(4-chlorophenyl)imino-4-(3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)butanehydrazide

C20H18Cl2N4O3 — CID 175698567

IUPACN'-(4-chlorophenyl)-4-(4-chlorophenyl)imino-4-(3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)butanehydrazide
SMILESO=C(CC/C(=N\c1ccc(Cl)cc1)C1=C(O)CNC1=O)NNc1ccc(Cl)cc1
InChIInChI=1S/C20H18Cl2N4O3/c21-12-1-5-14(6-2-12)24-16(19-17(27)11-23-20(19)29)9-10-18(28)26-25-15-7-3-13(22)4-8-15/h1-8,25,27H,9-11H2,(H,23,29)(H,26,28)/b24-16+
InChIKeyGXHYJWLPGVKMQU-LFVJCYFKSA-N
MW433.30 g/mol
LogP3.93
Rot. Bonds7

About N'-(4-chlorophenyl)-4-(4-chlorophenyl)imino-4-(3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)butanehydrazide

N'-(4-chlorophenyl)-4-(4-chlorophenyl)imino-4-(3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)butanehydrazide (PubChem CID 175698567) has the molecular formula C20H18Cl2N4O3 and a molecular weight of 433.30 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-4-(4-chlorophenyl)imino-4-(3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)butanehydrazide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-4-(4-chlorophenyl)imino-4-(3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)butanehydrazide
PubChem CID175698567
Molecular FormulaC20H18Cl2N4O3
Molecular Weight433.30 g/mol
Exact Mass432.08
IUPAC NameN'-(4-chlorophenyl)-4-(4-chlorophenyl)imino-4-(3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)butanehydrazide
SMILESO=C(CC/C(=N\c1ccc(Cl)cc1)C1=C(O)CNC1=O)NNc1ccc(Cl)cc1
InChIInChI=1S/C20H18Cl2N4O3/c21-12-1-5-14(6-2-12)24-16(19-17(27)11-23-20(19)29)9-10-18(28)26-25-15-7-3-13(22)4-8-15/h1-8,25,27H,9-11H2,(H,23,29)(H,26,28)/b24-16+
InChIKeyGXHYJWLPGVKMQU-LFVJCYFKSA-N
XLogP3.93
TPSA102.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 53.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-4-(4-chlorophenyl)imino-4-(3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)butanehydrazide?
The IUPAC name of N'-(4-chlorophenyl)-4-(4-chlorophenyl)imino-4-(3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)butanehydrazide (CID 175698567) is N'-(4-chlorophenyl)-4-(4-chlorophenyl)imino-4-(3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)butanehydrazide.
What is the SMILES notation for N'-(4-chlorophenyl)-4-(4-chlorophenyl)imino-4-(3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)butanehydrazide?
The canonical SMILES for N'-(4-chlorophenyl)-4-(4-chlorophenyl)imino-4-(3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)butanehydrazide is O=C(CC/C(=N\c1ccc(Cl)cc1)C1=C(O)CNC1=O)NNc1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-4-(4-chlorophenyl)imino-4-(3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)butanehydrazide?
The InChIKey is GXHYJWLPGVKMQU-LFVJCYFKSA-N. The full InChI is InChI=1S/C20H18Cl2N4O3/c21-12-1-5-14(6-2-12)24-16(19-17(27)11-23-20(19)29)9-10-18(28)26-25-15-7-3-13(22)4-8-15/h1-8,25,27H,9-11H2,(H,23,29)(H,26,28)/b24-16+.
What are the key properties of N'-(4-chlorophenyl)-4-(4-chlorophenyl)imino-4-(3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)butanehydrazide?
N'-(4-chlorophenyl)-4-(4-chlorophenyl)imino-4-(3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)butanehydrazide has a molecular weight of 433.30 g/mol, XLogP of 3.93, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-4-(4-chlorophenyl)imino-4-(3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)butanehydrazide is sourced from PubChem (CID 175698567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).