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

C16H12F5N3O3 — CID 2318403

IUPACN-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NN=Cc1ccccc1OC(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)
InChIKeyYZTUSVWTAZVUSO-UHFFFAOYSA-N
MW389.28 g/mol
LogP2.62
Rot. Bonds6

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

N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 2318403) has the molecular formula C16H12F5N3O3 and a molecular weight of 389.28 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID2318403
Molecular FormulaC16H12F5N3O3
Molecular Weight389.28 g/mol
Exact Mass389.08
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NN=Cc1ccccc1OC(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)
InChIKeyYZTUSVWTAZVUSO-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 2318403) is N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NN=Cc1ccccc1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is YZTUSVWTAZVUSO-UHFFFAOYSA-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).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[[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-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 2318403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).