2-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]benzamide

C15H12F4N2O2 — CID 129392878

IUPAC2-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]benzamide
SMILESO=C(NCCOc1ccc(C(F)(F)F)cn1)c1ccccc1F
InChIInChI=1S/C15H12F4N2O2/c16-12-4-2-1-3-11(12)14(22)20-7-8-23-13-6-5-10(9-21-13)15(17,18)19/h1-6,9H,7-8H2,(H,20,22)
InChIKeyVVJQUJUDTWILHB-UHFFFAOYSA-N
MW328.26 g/mol
LogP3.05
Rot. Bonds5

About 2-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]benzamide

2-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]benzamide (PubChem CID 129392878) has the molecular formula C15H12F4N2O2 and a molecular weight of 328.26 g/mol. Its IUPAC name is 2-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]benzamide
PubChem CID129392878
Molecular FormulaC15H12F4N2O2
Molecular Weight328.26 g/mol
Exact Mass328.08
IUPAC Name2-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]benzamide
SMILESO=C(NCCOc1ccc(C(F)(F)F)cn1)c1ccccc1F
InChIInChI=1S/C15H12F4N2O2/c16-12-4-2-1-3-11(12)14(22)20-7-8-23-13-6-5-10(9-21-13)15(17,18)19/h1-6,9H,7-8H2,(H,20,22)
InChIKeyVVJQUJUDTWILHB-UHFFFAOYSA-N
XLogP3.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridine-2-carboxamide
CID 71918358
N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]furan-3-carboxamide
CID 71969635
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-iodobenzamide
CID 74767005
2,4-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-oxazole-5-carboxamide
CID 71851017
3-cyano-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]thiophene-2-carboxamide
CID 71969634
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,6-difluorobenzamide
CID 129392827
2-fluoro-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26555567
7-hydroxy-2-thiophen-2-yl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1H-benzimidazole-4-carboxamide
CID 44628456
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699
2-methyl-6-(propanoylamino)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridine-4-carboxamide
CID 142503774
2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide
CID 44602648

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]benzamide (CID 129392878) is 2-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]benzamide is O=C(NCCOc1ccc(C(F)(F)F)cn1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]benzamide?
The InChIKey is VVJQUJUDTWILHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2O2/c16-12-4-2-1-3-11(12)14(22)20-7-8-23-13-6-5-10(9-21-13)15(17,18)19/h1-6,9H,7-8H2,(H,20,22).
What are the key properties of 2-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]benzamide?
2-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]benzamide has a molecular weight of 328.26 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]benzamide is sourced from PubChem (CID 129392878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).