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

C24H22FN3O3 — CID 8903012

IUPACN-(2,3-dimethylphenyl)-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESCc1cccc(NC(=O)C(=O)N/N=C\c2ccccc2OCc2cccc(F)c2)c1C
InChIInChI=1S/C24H22FN3O3/c1-16-7-5-11-21(17(16)2)27-23(29)24(30)28-26-14-19-9-3-4-12-22(19)31-15-18-8-6-10-20(25)13-18/h3-14H,15H2,1-2H3,(H,27,29)(H,28,30)/b26-14-
InChIKeyVSWIETOHRISUHM-WGARJPEWSA-N
MW419.46 g/mol
LogP4.11
Rot. Bonds6

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

N-(2,3-dimethylphenyl)-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide (PubChem CID 8903012) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
PubChem CID8903012
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC NameN-(2,3-dimethylphenyl)-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESCc1cccc(NC(=O)C(=O)N/N=C\c2ccccc2OCc2cccc(F)c2)c1C
InChIInChI=1S/C24H22FN3O3/c1-16-7-5-11-21(17(16)2)27-23(29)24(30)28-26-14-19-9-3-4-12-22(19)31-15-18-8-6-10-20(25)13-18/h3-14H,15H2,1-2H3,(H,27,29)(H,28,30)/b26-14-
InChIKeyVSWIETOHRISUHM-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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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide (CID 8903012) is N-(2,3-dimethylphenyl)-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide is Cc1cccc(NC(=O)C(=O)N/N=C\c2ccccc2OCc2cccc(F)c2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The InChIKey is VSWIETOHRISUHM-WGARJPEWSA-N. The full InChI is InChI=1S/C24H22FN3O3/c1-16-7-5-11-21(17(16)2)27-23(29)24(30)28-26-14-19-9-3-4-12-22(19)31-15-18-8-6-10-20(25)13-18/h3-14H,15H2,1-2H3,(H,27,29)(H,28,30)/b26-14-.
What are the key properties of N-(2,3-dimethylphenyl)-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
N-(2,3-dimethylphenyl)-N'-[(Z)-[2-[(3-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-(2,3-dimethylphenyl)-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 8903012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).