N-(4-chlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide

C16H11ClF3N3O2 — CID 6079733

IUPACN-(4-chlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccccc1C(F)(F)F)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H11ClF3N3O2/c17-11-5-7-12(8-6-11)22-14(24)15(25)23-21-9-10-3-1-2-4-13(10)16(18,19)20/h1-9H,(H,22,24)(H,23,25)/b21-9-
InChIKeyNHFRXYZKOAFVAV-NKVSQWTQSA-N
MW369.73 g/mol
LogP3.45
Rot. Bonds3

About N-(4-chlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide

N-(4-chlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide (PubChem CID 6079733) has the molecular formula C16H11ClF3N3O2 and a molecular weight of 369.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
PubChem CID6079733
Molecular FormulaC16H11ClF3N3O2
Molecular Weight369.73 g/mol
Exact Mass369.05
IUPAC NameN-(4-chlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccccc1C(F)(F)F)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H11ClF3N3O2/c17-11-5-7-12(8-6-11)22-14(24)15(25)23-21-9-10-3-1-2-4-13(10)16(18,19)20/h1-9H,(H,22,24)(H,23,25)/b21-9-
InChIKeyNHFRXYZKOAFVAV-NKVSQWTQSA-N
XLogP3.45
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.73
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-chloro-3-(trifluoromethyl)phenyl]-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 3470850
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-fluorophenyl)methylideneamino]oxamide
CID 94846404
2-(4-chlorophenoxy)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6899394
[2-[(Z)-[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6290283
N-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide
CID 4663699
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-nitrophenyl)methylideneamino]oxamide
CID 6249380
2-hydroxy-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 71966857
3-[(4-chlorophenyl)sulfamoyl]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 2332306
4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 1349846
3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 4588973
N-(4-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]oxamide
CID 136822704
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide
CID 6161305

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The IUPAC name of N-(4-chlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide (CID 6079733) is N-(4-chlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is O=C(N/N=C\c1ccccc1C(F)(F)F)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The InChIKey is NHFRXYZKOAFVAV-NKVSQWTQSA-N. The full InChI is InChI=1S/C16H11ClF3N3O2/c17-11-5-7-12(8-6-11)22-14(24)15(25)23-21-9-10-3-1-2-4-13(10)16(18,19)20/h1-9H,(H,22,24)(H,23,25)/b21-9-.
What are the key properties of N-(4-chlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
N-(4-chlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide has a molecular weight of 369.73 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 6079733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).