N'-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide

C24H22ClN3O5 — CID 5239711

IUPACN'-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)c(OC)c1
InChIInChI=1S/C24H22ClN3O5/c1-31-20-10-11-21(22(13-20)32-2)27-23(29)24(30)28-26-14-16-6-8-19(9-7-16)33-15-17-4-3-5-18(25)12-17/h3-14H,15H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyCQSLYKKLZJYFES-UHFFFAOYSA-N
MW467.91 g/mol
LogP4.03
Rot. Bonds8

About N'-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide

N'-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide (PubChem CID 5239711) has the molecular formula C24H22ClN3O5 and a molecular weight of 467.91 g/mol. Its IUPAC name is N'-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide
PubChem CID5239711
Molecular FormulaC24H22ClN3O5
Molecular Weight467.91 g/mol
Exact Mass467.12
IUPAC NameN'-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)c(OC)c1
InChIInChI=1S/C24H22ClN3O5/c1-31-20-10-11-21(22(13-20)32-2)27-23(29)24(30)28-26-14-16-6-8-19(9-7-16)33-15-17-4-3-5-18(25)12-17/h3-14H,15H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyCQSLYKKLZJYFES-UHFFFAOYSA-N
XLogP4.03
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.91
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-(2,5-dimethoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4188628
N-(2,4-dimethoxyphenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide
CID 19661572
N-(2,4-dimethoxyphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 4559899
N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 5335817
N-(4-bromo-2-methylphenyl)-N'-[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19660735
N-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 19660577
N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
CID 4118036
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 1274166
N-(4-methoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5077102
N'-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide
CID 4522719
N'-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 8930207
N'-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 94848768

Frequently Asked Questions

What is the IUPAC name of N'-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide?
The IUPAC name of N'-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide (CID 5239711) is N'-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide.
What is the SMILES notation for N'-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide?
The canonical SMILES for N'-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)c(OC)c1.
What is the InChIKey of N'-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide?
The InChIKey is CQSLYKKLZJYFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O5/c1-31-20-10-11-21(22(13-20)32-2)27-23(29)24(30)28-26-14-16-6-8-19(9-7-16)33-15-17-4-3-5-18(25)12-17/h3-14H,15H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N'-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide?
N'-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide has a molecular weight of 467.91 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide is sourced from PubChem (CID 5239711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).