N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide

C24H22ClN3O4 — CID 4218873

IUPACN'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide
SMILESCOc1cccc(NC(=O)CC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)c1
InChIInChI=1S/C24H22ClN3O4/c1-31-21-7-4-6-19(13-21)27-23(29)14-24(30)28-26-15-17-9-11-20(12-10-17)32-16-18-5-2-3-8-22(18)25/h2-13,15H,14,16H2,1H3,(H,27,29)(H,28,30)
InChIKeyHFQGQIITGVYPTA-UHFFFAOYSA-N
MW451.91 g/mol
LogP4.41
Rot. Bonds9

About N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide

N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide (PubChem CID 4218873) has the molecular formula C24H22ClN3O4 and a molecular weight of 451.91 g/mol. Its IUPAC name is N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide
PubChem CID4218873
Molecular FormulaC24H22ClN3O4
Molecular Weight451.91 g/mol
Exact Mass451.13
IUPAC NameN'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide
SMILESCOc1cccc(NC(=O)CC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)c1
InChIInChI=1S/C24H22ClN3O4/c1-31-21-7-4-6-19(13-21)27-23(29)14-24(30)28-26-15-17-9-11-20(12-10-17)32-16-18-5-2-3-8-22(18)25/h2-13,15H,14,16H2,1H3,(H,27,29)(H,28,30)
InChIKeyHFQGQIITGVYPTA-UHFFFAOYSA-N
XLogP4.41
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

N-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 4317093
N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3315682
N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylpropanediamide
CID 4233936
N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide
CID 4042396
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126397265
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide
CID 6293738
N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 3345066
N-(4-chlorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide
CID 6871476
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-ethylphenoxy)acetamide
CID 19182567
N-(3-chloro-4-methylphenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19659605
N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 3332655
N'-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3645255

Frequently Asked Questions

What is the IUPAC name of N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide?
The IUPAC name of N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide (CID 4218873) is N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide.
What is the SMILES notation for N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide?
The canonical SMILES for N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide is COc1cccc(NC(=O)CC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)c1.
What is the InChIKey of N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide?
The InChIKey is HFQGQIITGVYPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4/c1-31-21-7-4-6-19(13-21)27-23(29)14-24(30)28-26-15-17-9-11-20(12-10-17)32-16-18-5-2-3-8-22(18)25/h2-13,15H,14,16H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide?
N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide has a molecular weight of 451.91 g/mol, XLogP of 4.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide is sourced from PubChem (CID 4218873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).