N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide

C23H20ClN3O3 — CID 3715481

IUPACN'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NN=Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C23H20ClN3O3/c1-16-5-11-20(12-6-16)26-22(28)23(29)27-25-14-18-3-2-4-21(13-18)30-15-17-7-9-19(24)10-8-17/h2-14H,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyVAKCNVJOFKWWLW-UHFFFAOYSA-N
MW421.88 g/mol
LogP4.32
Rot. Bonds6

About N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide

N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide (PubChem CID 3715481) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
PubChem CID3715481
Molecular FormulaC23H20ClN3O3
Molecular Weight421.88 g/mol
Exact Mass421.12
IUPAC NameN'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NN=Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C23H20ClN3O3/c1-16-5-11-20(12-6-16)26-22(28)23(29)27-25-14-18-3-2-4-21(13-18)30-15-17-7-9-19(24)10-8-17/h2-14H,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyVAKCNVJOFKWWLW-UHFFFAOYSA-N
XLogP4.32
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-methylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3704074
N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 6028508
N'-[(E)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)oxamide
CID 19659884
N-(2,6-dimethylphenyl)-N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5082451
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 4081735
N-(3-chloro-2-methylphenyl)-N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4608595
N'-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 4072361
N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 5221188
N-(4-ethylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3300834
N-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 45055326
N-(4-chlorophenyl)-N'-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6002264
N-(4-chlorophenyl)-N'-[(3-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4068824

Frequently Asked Questions

What is the IUPAC name of N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide (CID 3715481) is N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NN=Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide?
The InChIKey is VAKCNVJOFKWWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c1-16-5-11-20(12-6-16)26-22(28)23(29)27-25-14-18-3-2-4-21(13-18)30-15-17-7-9-19(24)10-8-17/h2-14H,15H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide?
N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide has a molecular weight of 421.88 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 3715481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).