N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide

C23H19ClFN3O3 — CID 155542057

IUPACN-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C23H19ClFN3O3/c24-20-7-3-1-6-18(20)15-31-21-8-4-2-5-17(21)13-27-28-22(29)14-26-23(30)16-9-11-19(25)12-10-16/h1-13H,14-15H2,(H,26,30)(H,28,29)/b27-13+
InChIKeySUNPAFMHZCHJTM-UVHMKAGCSA-N
MW439.87 g/mol
LogP3.94
Rot. Bonds8

About N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide

N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 155542057) has the molecular formula C23H19ClFN3O3 and a molecular weight of 439.87 g/mol. Its IUPAC name is N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
PubChem CID155542057
Molecular FormulaC23H19ClFN3O3
Molecular Weight439.87 g/mol
Exact Mass439.11
IUPAC NameN-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C23H19ClFN3O3/c24-20-7-3-1-6-18(20)15-31-21-8-4-2-5-17(21)13-27-28-22(29)14-26-23(30)16-9-11-19(25)12-10-16/h1-13H,14-15H2,(H,26,30)(H,28,29)/b27-13+
InChIKeySUNPAFMHZCHJTM-UVHMKAGCSA-N
XLogP3.94
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.87
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 3262359
4-fluoro-N-[2-oxo-2-[2-[(2-prop-2-ynoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3550812
N-[2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 4665883
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
CID 110840868
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 758615
4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6051853
N-[2-[(2E)-2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 155533933
4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 51061317
N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide
CID 110338553
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide
CID 5214924
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 3859843
2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 29146902

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide (CID 155542057) is N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide is O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccccc1OCc1ccccc1Cl.
What is the InChIKey of N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is SUNPAFMHZCHJTM-UVHMKAGCSA-N. The full InChI is InChI=1S/C23H19ClFN3O3/c24-20-7-3-1-6-18(20)15-31-21-8-4-2-5-17(21)13-27-28-22(29)14-26-23(30)16-9-11-19(25)12-10-16/h1-13H,14-15H2,(H,26,30)(H,28,29)/b27-13+.
What are the key properties of N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide?
N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 439.87 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 155542057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).