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

C15H11ClF3N3O2 — CID 6899834

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF3N3O2/c16-12-4-1-10(2-5-12)7-20-21-13(23)9-22-8-11(15(17,18)19)3-6-14(22)24/h1-8H,9H2,(H,21,23)/b20-7+
InChIKeyHHIVYAAEHBXHTJ-IFRROFPPSA-N
MW357.72 g/mol
LogP2.67
Rot. Bonds4

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

N-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 6899834) has the molecular formula C15H11ClF3N3O2 and a molecular weight of 357.72 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID6899834
Molecular FormulaC15H11ClF3N3O2
Molecular Weight357.72 g/mol
Exact Mass357.05
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF3N3O2/c16-12-4-1-10(2-5-12)7-20-21-13(23)9-22-8-11(15(17,18)19)3-6-14(22)24/h1-8H,9H2,(H,21,23)/b20-7+
InChIKeyHHIVYAAEHBXHTJ-IFRROFPPSA-N
XLogP2.67
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.72
LogP ≤ 52.67
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)-(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 6899830
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
2-(3-(4-Chlorophenyl)-6-oxopyridazin-1(6H)-yl)acetamide
CID 7659802
N-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
CID 6871826
N-[(4-chlorophenyl)methylideneamino]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
CID 2818544
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
CID 5715319
N-[(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2318394

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 6899834) is N-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is HHIVYAAEHBXHTJ-IFRROFPPSA-N. The full InChI is InChI=1S/C15H11ClF3N3O2/c16-12-4-1-10(2-5-12)7-20-21-13(23)9-22-8-11(15(17,18)19)3-6-14(22)24/h1-8H,9H2,(H,21,23)/b20-7+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 357.72 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 6899834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).