N-[2-(3-chloro-5-methoxy-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide

C17H15ClF3N3O3 — CID 118071696

IUPACN-[2-(3-chloro-5-methoxy-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide
SMILESCON=C(CNC(=O)c1ccccc1C(F)(F)F)c1ncc(OC)cc1Cl
InChIInChI=1S/C17H15ClF3N3O3/c1-26-10-7-13(18)15(22-8-10)14(24-27-2)9-23-16(25)11-5-3-4-6-12(11)17(19,20)21/h3-8H,9H2,1-2H3,(H,23,25)
InChIKeyGEVFAQFONISVNV-UHFFFAOYSA-N
MW401.77 g/mol
LogP3.54
Rot. Bonds6

About N-[2-(3-chloro-5-methoxy-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide

N-[2-(3-chloro-5-methoxy-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide (PubChem CID 118071696) has the molecular formula C17H15ClF3N3O3 and a molecular weight of 401.77 g/mol. Its IUPAC name is N-[2-(3-chloro-5-methoxy-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-chloro-5-methoxy-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide
PubChem CID118071696
Molecular FormulaC17H15ClF3N3O3
Molecular Weight401.77 g/mol
Exact Mass401.08
IUPAC NameN-[2-(3-chloro-5-methoxy-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide
SMILESCON=C(CNC(=O)c1ccccc1C(F)(F)F)c1ncc(OC)cc1Cl
InChIInChI=1S/C17H15ClF3N3O3/c1-26-10-7-13(18)15(22-8-10)14(24-27-2)9-23-16(25)11-5-3-4-6-12(11)17(19,20)21/h3-8H,9H2,1-2H3,(H,23,25)
InChIKeyGEVFAQFONISVNV-UHFFFAOYSA-N
XLogP3.54
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.77
LogP ≤ 53.54
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-(3-chloro-5-methoxy-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(3-chloro-5-methoxy-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide (CID 118071696) is N-[2-(3-chloro-5-methoxy-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(3-chloro-5-methoxy-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(3-chloro-5-methoxy-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide is CON=C(CNC(=O)c1ccccc1C(F)(F)F)c1ncc(OC)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-5-methoxy-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is GEVFAQFONISVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O3/c1-26-10-7-13(18)15(22-8-10)14(24-27-2)9-23-16(25)11-5-3-4-6-12(11)17(19,20)21/h3-8H,9H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(3-chloro-5-methoxy-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide?
N-[2-(3-chloro-5-methoxy-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 401.77 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-5-methoxy-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 118071696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).