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

C22H17F2N3O3 — CID 8930437

IUPACN-(2-fluorophenyl)-N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccccc1OCc1ccccc1F)C(=O)Nc1ccccc1F
InChIInChI=1S/C22H17F2N3O3/c23-17-9-3-1-8-16(17)14-30-20-12-6-2-7-15(20)13-25-27-22(29)21(28)26-19-11-5-4-10-18(19)24/h1-13H,14H2,(H,26,28)(H,27,29)/b25-13-
InChIKeyYTVZGEYTYOFUBQ-MXAYSNPKSA-N
MW409.39 g/mol
LogP3.63
Rot. Bonds6

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

N-(2-fluorophenyl)-N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide (PubChem CID 8930437) has the molecular formula C22H17F2N3O3 and a molecular weight of 409.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
PubChem CID8930437
Molecular FormulaC22H17F2N3O3
Molecular Weight409.39 g/mol
Exact Mass409.12
IUPAC NameN-(2-fluorophenyl)-N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccccc1OCc1ccccc1F)C(=O)Nc1ccccc1F
InChIInChI=1S/C22H17F2N3O3/c23-17-9-3-1-8-16(17)14-30-20-12-6-2-7-15(20)13-25-27-22(29)21(28)26-19-11-5-4-10-18(19)24/h1-13H,14H2,(H,26,28)(H,27,29)/b25-13-
InChIKeyYTVZGEYTYOFUBQ-MXAYSNPKSA-N
XLogP3.63
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 53.63
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-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988803
N'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126266532
[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 71670043
N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 8930390
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 4319718
N-(2-fluorophenyl)-N'-[(Z)-[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126276514
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 4005945
N-(2-fluorophenyl)-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
CID 8898803
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide
CID 5214924
N-(4-fluorophenyl)-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6263424
N-naphthalen-1-yl-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
CID 51060568
N'-[(Z)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-N-(2-fluorophenyl)oxamide
CID 8989282

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-(2-fluorophenyl)-N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide (CID 8930437) is N-(2-fluorophenyl)-N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(2-fluorophenyl)-N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide is O=C(N/N=C\c1ccccc1OCc1ccccc1F)C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The InChIKey is YTVZGEYTYOFUBQ-MXAYSNPKSA-N. The full InChI is InChI=1S/C22H17F2N3O3/c23-17-9-3-1-8-16(17)14-30-20-12-6-2-7-15(20)13-25-27-22(29)21(28)26-19-11-5-4-10-18(19)24/h1-13H,14H2,(H,26,28)(H,27,29)/b25-13-.
What are the key properties of N-(2-fluorophenyl)-N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
N-(2-fluorophenyl)-N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide has a molecular weight of 409.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 8930437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).