N-(3-chloro-4-methylphenyl)-N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide

C23H19ClFN3O3 — CID 5166548

IUPACN-(3-chloro-4-methylphenyl)-N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESCc1ccc(NC(=O)C(=O)NN=Cc2cccc(OCc3ccccc3F)c2)cc1Cl
InChIInChI=1S/C23H19ClFN3O3/c1-15-9-10-18(12-20(15)24)27-22(29)23(30)28-26-13-16-5-4-7-19(11-16)31-14-17-6-2-3-8-21(17)25/h2-13H,14H2,1H3,(H,27,29)(H,28,30)
InChIKeyHIGACTYGDZAVCH-UHFFFAOYSA-N
MW439.87 g/mol
LogP4.46
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide

N-(3-chloro-4-methylphenyl)-N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide (PubChem CID 5166548) has the molecular formula C23H19ClFN3O3 and a molecular weight of 439.87 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
PubChem CID5166548
Molecular FormulaC23H19ClFN3O3
Molecular Weight439.87 g/mol
Exact Mass439.11
IUPAC NameN-(3-chloro-4-methylphenyl)-N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESCc1ccc(NC(=O)C(=O)NN=Cc2cccc(OCc3ccccc3F)c2)cc1Cl
InChIInChI=1S/C23H19ClFN3O3/c1-15-9-10-18(12-20(15)24)27-22(29)23(30)28-26-13-16-5-4-7-19(11-16)31-14-17-6-2-3-8-21(17)25/h2-13H,14H2,1H3,(H,27,29)(H,28,30)
InChIKeyHIGACTYGDZAVCH-UHFFFAOYSA-N
XLogP4.46
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.87
LogP ≤ 54.46
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-bromophenyl)-N'-[(E)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19658870
N-(3-chloro-4-methylphenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19659605
N-(3-chloro-4-methylphenyl)-N'-[(3-methoxyphenyl)methylideneamino]oxamide
CID 4060161
N'-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 4072361
N'-[(Z)-[3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126160299
N-(3,5-dimethylphenyl)-N'-[(E)-[3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19661382
N'-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 5098627
N-(3,4-dichlorophenyl)-N'-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5221192
4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126195239
N-(3-chloro-4-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine
CID 126206500
N-(3-chloro-4-methylphenyl)-N'-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4086690
N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 3332655

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide (CID 5166548) is N-(3-chloro-4-methylphenyl)-N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide is Cc1ccc(NC(=O)C(=O)NN=Cc2cccc(OCc3ccccc3F)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The InChIKey is HIGACTYGDZAVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O3/c1-15-9-10-18(12-20(15)24)27-22(29)23(30)28-26-13-16-5-4-7-19(11-16)31-14-17-6-2-3-8-21(17)25/h2-13H,14H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-(3-chloro-4-methylphenyl)-N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
N-(3-chloro-4-methylphenyl)-N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide has a molecular weight of 439.87 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 5166548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).