(2Z)-2-methoxyimino-N-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide

C16H14F3N3O3 — CID 15767096

IUPAC(2Z)-2-methoxyimino-N-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
SMILESCNC(=O)/C(=N\OC)c1ccccc1Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H14F3N3O3/c1-20-15(23)14(22-24-2)11-5-3-4-6-12(11)25-13-8-7-10(9-21-13)16(17,18)19/h3-9H,1-2H3,(H,20,23)/b22-14-
InChIKeyJMQQBEAVXYIZIO-HMAPJEAMSA-N
MW353.30 g/mol
LogP2.99
Rot. Bonds5

About (2Z)-2-methoxyimino-N-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide

(2Z)-2-methoxyimino-N-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide (PubChem CID 15767096) has the molecular formula C16H14F3N3O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is (2Z)-2-methoxyimino-N-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide.

Molecular Properties

Compound Name(2Z)-2-methoxyimino-N-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
PubChem CID15767096
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30 g/mol
Exact Mass353.10
IUPAC Name(2Z)-2-methoxyimino-N-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
SMILESCNC(=O)/C(=N\OC)c1ccccc1Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H14F3N3O3/c1-20-15(23)14(22-24-2)11-5-3-4-6-12(11)25-13-8-7-10(9-21-13)16(17,18)19/h3-9H,1-2H3,(H,20,23)/b22-14-
InChIKeyJMQQBEAVXYIZIO-HMAPJEAMSA-N
XLogP2.99
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.99
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 (2Z)-2-methoxyimino-N-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide?
The IUPAC name of (2Z)-2-methoxyimino-N-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide (CID 15767096) is (2Z)-2-methoxyimino-N-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide.
What is the SMILES notation for (2Z)-2-methoxyimino-N-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide?
The canonical SMILES for (2Z)-2-methoxyimino-N-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide is CNC(=O)/C(=N\OC)c1ccccc1Oc1ccc(C(F)(F)F)cn1.
What is the InChIKey of (2Z)-2-methoxyimino-N-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide?
The InChIKey is JMQQBEAVXYIZIO-HMAPJEAMSA-N. The full InChI is InChI=1S/C16H14F3N3O3/c1-20-15(23)14(22-24-2)11-5-3-4-6-12(11)25-13-8-7-10(9-21-13)16(17,18)19/h3-9H,1-2H3,(H,20,23)/b22-14-.
What are the key properties of (2Z)-2-methoxyimino-N-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide?
(2Z)-2-methoxyimino-N-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide has a molecular weight of 353.30 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methoxyimino-N-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide is sourced from PubChem (CID 15767096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).