N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-fluorophenyl)methylideneamino]oxamide

C16H10ClF4N3O2 — CID 94846404

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-fluorophenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccccc1F)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H10ClF4N3O2/c17-12-6-5-10(7-11(12)16(19,20)21)23-14(25)15(26)24-22-8-9-3-1-2-4-13(9)18/h1-8H,(H,23,25)(H,24,26)/b22-8-
InChIKeyJQBAPFLEOXZOPI-UYOCIXKTSA-N
MW387.72 g/mol
LogP3.59
Rot. Bonds3

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-fluorophenyl)methylideneamino]oxamide (PubChem CID 94846404) has the molecular formula C16H10ClF4N3O2 and a molecular weight of 387.72 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-fluorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-fluorophenyl)methylideneamino]oxamide
PubChem CID94846404
Molecular FormulaC16H10ClF4N3O2
Molecular Weight387.72 g/mol
Exact Mass387.04
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-fluorophenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccccc1F)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H10ClF4N3O2/c17-12-6-5-10(7-11(12)16(19,20)21)23-14(25)15(26)24-22-8-9-3-1-2-4-13(9)18/h1-8H,(H,23,25)(H,24,26)/b22-8-
InChIKeyJQBAPFLEOXZOPI-UYOCIXKTSA-N
XLogP3.59
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.72
LogP ≤ 53.59
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-nitrophenyl)methylideneamino]oxamide
CID 6249380
N-(4-chlorophenyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 6079733
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(2-fluorophenyl)oxamide
CID 108515782
N'-[(E)-(4-acetamidophenyl)methylideneamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 25251109
N-(3,4-dimethylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide
CID 3669810
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(E)-(3,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135647190
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 3117787
N'-[(Z)-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 94837009
N'-[(2-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 4147303
N-(4-cyanophenyl)-N'-[(E)-(2-fluorophenyl)methylideneamino]oxamide
CID 19659771
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126008645

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-fluorophenyl)methylideneamino]oxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-fluorophenyl)methylideneamino]oxamide (CID 94846404) is N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-fluorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-fluorophenyl)methylideneamino]oxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-fluorophenyl)methylideneamino]oxamide is O=C(N/N=C\c1ccccc1F)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-fluorophenyl)methylideneamino]oxamide?
The InChIKey is JQBAPFLEOXZOPI-UYOCIXKTSA-N. The full InChI is InChI=1S/C16H10ClF4N3O2/c17-12-6-5-10(7-11(12)16(19,20)21)23-14(25)15(26)24-22-8-9-3-1-2-4-13(9)18/h1-8H,(H,23,25)(H,24,26)/b22-8-.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-fluorophenyl)methylideneamino]oxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-fluorophenyl)methylideneamino]oxamide has a molecular weight of 387.72 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-fluorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 94846404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).