N-(2-chlorophenyl)-N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide

C23H19ClFN3O3 — CID 19658302

IUPACN-(2-chlorophenyl)-N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1ccccc1Cl)c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C23H19ClFN3O3/c1-15(27-28-23(30)22(29)26-21-9-5-3-7-19(21)24)16-10-12-18(13-11-16)31-14-17-6-2-4-8-20(17)25/h2-13H,14H2,1H3,(H,26,29)(H,28,30)/b27-15+
InChIKeyROVZBVDKQGSWGB-JFLMPSFJSA-N
MW439.87 g/mol
LogP4.54
Rot. Bonds6

About N-(2-chlorophenyl)-N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide

N-(2-chlorophenyl)-N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide (PubChem CID 19658302) has the molecular formula C23H19ClFN3O3 and a molecular weight of 439.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide
PubChem CID19658302
Molecular FormulaC23H19ClFN3O3
Molecular Weight439.87 g/mol
Exact Mass439.11
IUPAC NameN-(2-chlorophenyl)-N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1ccccc1Cl)c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C23H19ClFN3O3/c1-15(27-28-23(30)22(29)26-21-9-5-3-7-19(21)24)16-10-12-18(13-11-16)31-14-17-6-2-4-8-20(17)25/h2-13H,14H2,1H3,(H,26,29)(H,28,30)/b27-15+
InChIKeyROVZBVDKQGSWGB-JFLMPSFJSA-N
XLogP4.54
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 ≤ 54.54
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'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide
CID 19660575
N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3618515
N-(3-chloro-2-methylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 5105677
N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide
CID 19659649
N-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19659738
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19659544
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 5051458
N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]-N-(2,4-dimethylphenyl)oxamide
CID 19659382
N-[1-[4-[(2-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-phenoxyacetamide
CID 5183598
N-(4-bromo-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19658779
[4-[N-[[2-(2,5-dichloroanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 2-chlorobenzoate
CID 5105772
N-(4-bromophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19660675

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide?
The IUPAC name of N-(2-chlorophenyl)-N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide (CID 19658302) is N-(2-chlorophenyl)-N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide is C/C(=N\NC(=O)C(=O)Nc1ccccc1Cl)c1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of N-(2-chlorophenyl)-N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide?
The InChIKey is ROVZBVDKQGSWGB-JFLMPSFJSA-N. The full InChI is InChI=1S/C23H19ClFN3O3/c1-15(27-28-23(30)22(29)26-21-9-5-3-7-19(21)24)16-10-12-18(13-11-16)31-14-17-6-2-4-8-20(17)25/h2-13H,14H2,1H3,(H,26,29)(H,28,30)/b27-15+.
What are the key properties of N-(2-chlorophenyl)-N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide?
N-(2-chlorophenyl)-N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide has a molecular weight of 439.87 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide is sourced from PubChem (CID 19658302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).