N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide

C16H9Cl3F3N3O2 — CID 5086061

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H9Cl3F3N3O2/c17-10-3-1-8(12(19)6-10)7-23-25-15(27)14(26)24-13-5-9(16(20,21)22)2-4-11(13)18/h1-7H,(H,24,26)(H,25,27)
InChIKeySULRHGLFOZWABS-UHFFFAOYSA-N
MW438.62 g/mol
LogP4.75
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide (PubChem CID 5086061) has the molecular formula C16H9Cl3F3N3O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide
PubChem CID5086061
Molecular FormulaC16H9Cl3F3N3O2
Molecular Weight438.62 g/mol
Exact Mass436.97
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H9Cl3F3N3O2/c17-10-3-1-8(12(19)6-10)7-23-25-15(27)14(26)24-13-5-9(16(20,21)22)2-4-11(13)18/h1-7H,(H,24,26)(H,25,27)
InChIKeySULRHGLFOZWABS-UHFFFAOYSA-N
XLogP4.75
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 54.75
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-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide
CID 6277415
N-(4-chlorophenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]oxamide
CID 108987079
N-(5-chloro-2-methylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 56698653
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 6084385
N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,5-dimethylphenyl)oxamide
CID 3426233
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(3-methoxyphenyl)methylideneamino]oxamide
CID 4166909
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 135679282
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 5203733
N-(5-chloro-2-methoxyphenyl)-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide
CID 4520831
N-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide
CID 3336586
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 6286421
N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 5334540

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide (CID 5086061) is N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide is O=C(NN=Cc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide?
The InChIKey is SULRHGLFOZWABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl3F3N3O2/c17-10-3-1-8(12(19)6-10)7-23-25-15(27)14(26)24-13-5-9(16(20,21)22)2-4-11(13)18/h1-7H,(H,24,26)(H,25,27).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide has a molecular weight of 438.62 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 5086061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).