N-(3,4-dimethylphenyl)-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide

C24H22FN3O3 — CID 8902607

IUPACN-(3,4-dimethylphenyl)-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C\c2ccccc2OCc2ccc(F)cc2)cc1C
InChIInChI=1S/C24H22FN3O3/c1-16-7-12-21(13-17(16)2)27-23(29)24(30)28-26-14-19-5-3-4-6-22(19)31-15-18-8-10-20(25)11-9-18/h3-14H,15H2,1-2H3,(H,27,29)(H,28,30)/b26-14-
InChIKeyJHITXMJZIZYUOK-WGARJPEWSA-N
MW419.46 g/mol
LogP4.11
Rot. Bonds6

About N-(3,4-dimethylphenyl)-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide

N-(3,4-dimethylphenyl)-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide (PubChem CID 8902607) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
PubChem CID8902607
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC NameN-(3,4-dimethylphenyl)-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C\c2ccccc2OCc2ccc(F)cc2)cc1C
InChIInChI=1S/C24H22FN3O3/c1-16-7-12-21(13-17(16)2)27-23(29)24(30)28-26-14-19-5-3-4-6-22(19)31-15-18-8-10-20(25)11-9-18/h3-14H,15H2,1-2H3,(H,27,29)(H,28,30)/b26-14-
InChIKeyJHITXMJZIZYUOK-WGARJPEWSA-N
XLogP4.11
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.11
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-fluorophenyl)-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6263424
N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propyloxamide
CID 8902643
N-(3,4-dimethylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide
CID 3669810
N'-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide
CID 51061218
N'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 45054809
N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126338184
2-(2,4-dimethylphenyl)-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 133143940
N-(3,4-dimethylphenyl)-N'-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 171981257
N-(4-fluorophenyl)-N'-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 4171163
4-[[2-[(Z)-[[2-(methylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 8989417
N-(3-chloro-4-methylphenyl)-N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 4663988
N-[2-(phenylcarbamoyl)phenyl]-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
CID 45054984

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide (CID 8902607) is N-(3,4-dimethylphenyl)-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide is Cc1ccc(NC(=O)C(=O)N/N=C\c2ccccc2OCc2ccc(F)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The InChIKey is JHITXMJZIZYUOK-WGARJPEWSA-N. The full InChI is InChI=1S/C24H22FN3O3/c1-16-7-12-21(13-17(16)2)27-23(29)24(30)28-26-14-19-5-3-4-6-22(19)31-15-18-8-10-20(25)11-9-18/h3-14H,15H2,1-2H3,(H,27,29)(H,28,30)/b26-14-.
What are the key properties of N-(3,4-dimethylphenyl)-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
N-(3,4-dimethylphenyl)-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide has a molecular weight of 419.46 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 8902607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).