N-(1-pyridin-2-ylethylideneamino)-3-(trifluoromethyl)benzamide

C15H12F3N3O — CID 54360195

IUPACN-(1-pyridin-2-ylethylideneamino)-3-(trifluoromethyl)benzamide
SMILESCC(=NNC(=O)c1cccc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C15H12F3N3O/c1-10(13-7-2-3-8-19-13)20-21-14(22)11-5-4-6-12(9-11)15(16,17)18/h2-9H,1H3,(H,21,22)
InChIKeyULZFTMLAMDNEBS-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.25
Rot. Bonds3

About N-(1-pyridin-2-ylethylideneamino)-3-(trifluoromethyl)benzamide

N-(1-pyridin-2-ylethylideneamino)-3-(trifluoromethyl)benzamide (PubChem CID 54360195) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is N-(1-pyridin-2-ylethylideneamino)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-pyridin-2-ylethylideneamino)-3-(trifluoromethyl)benzamide
PubChem CID54360195
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC NameN-(1-pyridin-2-ylethylideneamino)-3-(trifluoromethyl)benzamide
SMILESCC(=NNC(=O)c1cccc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C15H12F3N3O/c1-10(13-7-2-3-8-19-13)20-21-14(22)11-5-4-6-12(9-11)15(16,17)18/h2-9H,1H3,(H,21,22)
InChIKeyULZFTMLAMDNEBS-UHFFFAOYSA-N
XLogP3.25
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1-pyridin-2-ylethylideneamino)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-pyridin-2-ylethylideneamino)-3-(trifluoromethyl)benzamide (CID 54360195) is N-(1-pyridin-2-ylethylideneamino)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-pyridin-2-ylethylideneamino)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-pyridin-2-ylethylideneamino)-3-(trifluoromethyl)benzamide is CC(=NNC(=O)c1cccc(C(F)(F)F)c1)c1ccccn1.
What is the InChIKey of N-(1-pyridin-2-ylethylideneamino)-3-(trifluoromethyl)benzamide?
The InChIKey is ULZFTMLAMDNEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c1-10(13-7-2-3-8-19-13)20-21-14(22)11-5-4-6-12(9-11)15(16,17)18/h2-9H,1H3,(H,21,22).
What are the key properties of N-(1-pyridin-2-ylethylideneamino)-3-(trifluoromethyl)benzamide?
N-(1-pyridin-2-ylethylideneamino)-3-(trifluoromethyl)benzamide has a molecular weight of 307.28 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylethylideneamino)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 54360195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).