N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide

C23H18Cl2FN3O3 — CID 3919120

IUPACN'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccccc1F)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H18Cl2FN3O3/c24-17-8-7-16(19(25)11-17)14-32-18-9-5-15(6-10-18)13-27-29-23(31)12-22(30)28-21-4-2-1-3-20(21)26/h1-11,13H,12,14H2,(H,28,30)(H,29,31)
InChIKeyLSPMFTWYWMRWMP-UHFFFAOYSA-N
MW474.32 g/mol
LogP5.19
Rot. Bonds8

About N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide

N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide (PubChem CID 3919120) has the molecular formula C23H18Cl2FN3O3 and a molecular weight of 474.32 g/mol. Its IUPAC name is N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide
PubChem CID3919120
Molecular FormulaC23H18Cl2FN3O3
Molecular Weight474.32 g/mol
Exact Mass473.07
IUPAC NameN'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccccc1F)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H18Cl2FN3O3/c24-17-8-7-16(19(25)11-17)14-32-18-9-5-15(6-10-18)13-27-29-23(31)12-22(30)28-21-4-2-1-3-20(21)26/h1-11,13H,12,14H2,(H,28,30)(H,29,31)
InChIKeyLSPMFTWYWMRWMP-UHFFFAOYSA-N
XLogP5.19
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.32
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylpropanediamide
CID 4233936
N'-[(4-chlorophenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 3985918
N-(2,5-dichlorophenyl)-N'-[(E)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19658498
N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061576
4-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847907
N-(3-chlorophenyl)-N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4578191
N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)butanediamide
CID 3373238
N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3315682
[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 1018571
3,4-dichloro-N-[3-[2-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3271904
N'-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 4215625
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 51061496

Frequently Asked Questions

What is the IUPAC name of N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide?
The IUPAC name of N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide (CID 3919120) is N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide.
What is the SMILES notation for N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide?
The canonical SMILES for N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide is O=C(CC(=O)Nc1ccccc1F)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide?
The InChIKey is LSPMFTWYWMRWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2FN3O3/c24-17-8-7-16(19(25)11-17)14-32-18-9-5-15(6-10-18)13-27-29-23(31)12-22(30)28-21-4-2-1-3-20(21)26/h1-11,13H,12,14H2,(H,28,30)(H,29,31).
What are the key properties of N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide?
N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide has a molecular weight of 474.32 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide is sourced from PubChem (CID 3919120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).