N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C15H10Cl2F3N3O2 — CID 6899830

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2F3N3O2/c16-11-3-1-9(12(17)5-11)6-21-22-13(24)8-23-7-10(15(18,19)20)2-4-14(23)25/h1-7H,8H2,(H,22,24)/b21-6+
InChIKeyPTPPWPOPYXERIK-AERZKKPOSA-N
MW392.16 g/mol
LogP3.32
Rot. Bonds4

About N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 6899830) has the molecular formula C15H10Cl2F3N3O2 and a molecular weight of 392.16 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID6899830
Molecular FormulaC15H10Cl2F3N3O2
Molecular Weight392.16 g/mol
Exact Mass391.01
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2F3N3O2/c16-11-3-1-9(12(17)5-11)6-21-22-13(24)8-23-7-10(15(18,19)20)2-4-14(23)25/h1-7H,8H2,(H,22,24)/b21-6+
InChIKeyPTPPWPOPYXERIK-AERZKKPOSA-N
XLogP3.32
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.16
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-fluorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 9612950
N-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 6899834
N-[(E)-benzylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 6899832
N-[(E)-(3-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 6899852
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-N',N'-diethyloxamide
CID 5339213
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 6899838
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 6899904
N-cyclopropyl-2-[(2E)-2-(2,4-dichlorobenzylidene)hydrazino]-2-oxoacetamide
CID 9600045
N'-(2,4-dichlorobenzylidene)-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarbohydrazide
CID 5334016
N-[(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2318394
N-(benzylideneamino)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2318404
N-[(4-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2318410

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 6899830) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is PTPPWPOPYXERIK-AERZKKPOSA-N. The full InChI is InChI=1S/C15H10Cl2F3N3O2/c16-11-3-1-9(12(17)5-11)6-21-22-13(24)8-23-7-10(15(18,19)20)2-4-14(23)25/h1-7H,8H2,(H,22,24)/b21-6+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 392.16 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 6899830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).