N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C16H12F5N3O3 — CID 6899831

IUPACN-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccccc1OC(F)F
InChIInChI=1S/C16H12F5N3O3/c17-15(18)27-12-4-2-1-3-10(12)7-22-23-13(25)9-24-8-11(16(19,20)21)5-6-14(24)26/h1-8,15H,9H2,(H,23,25)/b22-7+
InChIKeyYZTUSVWTAZVUSO-QPJQQBGISA-N
MW389.28 g/mol
LogP2.62
Rot. Bonds6

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

N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 6899831) has the molecular formula C16H12F5N3O3 and a molecular weight of 389.28 g/mol. Its IUPAC name is N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID6899831
Molecular FormulaC16H12F5N3O3
Molecular Weight389.28 g/mol
Exact Mass389.08
IUPAC NameN-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccccc1OC(F)F
InChIInChI=1S/C16H12F5N3O3/c17-15(18)27-12-4-2-1-3-10(12)7-22-23-13(25)9-24-8-11(16(19,20)21)5-6-14(24)26/h1-8,15H,9H2,(H,23,25)/b22-7+
InChIKeyYZTUSVWTAZVUSO-QPJQQBGISA-N
XLogP2.62
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8882962
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6899887
N-[(3-bromophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2318414
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 42991594
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 7516704
4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide
CID 2691883
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 9316682
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-ylphenyl)acetamide
CID 2623827
methyl 2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]benzoate
CID 2623859
2-(2-benzylphenoxy)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide
CID 9359679
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylphenyl)acetamide
CID 2477086
N'-[(2-propan-2-yloxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 3938383

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 6899831) is N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccccc1OC(F)F.
What is the InChIKey of N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is YZTUSVWTAZVUSO-QPJQQBGISA-N. The full InChI is InChI=1S/C16H12F5N3O3/c17-15(18)27-12-4-2-1-3-10(12)7-22-23-13(25)9-24-8-11(16(19,20)21)5-6-14(24)26/h1-8,15H,9H2,(H,23,25)/b22-7+.
What are the key properties of N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 389.28 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 6899831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).