N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide

C15H11Cl2F3N2O2 — CID 74766847

IUPACN-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCOc1ncc(Cl)cc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H11Cl2F3N2O2/c16-9-7-12(17)14(22-8-9)24-6-5-21-13(23)10-3-1-2-4-11(10)15(18,19)20/h1-4,7-8H,5-6H2,(H,21,23)
InChIKeyHRXFRKHLTYFDBS-UHFFFAOYSA-N
MW379.17 g/mol
LogP4.22
Rot. Bonds5

About N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide

N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 74766847) has the molecular formula C15H11Cl2F3N2O2 and a molecular weight of 379.17 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide
PubChem CID74766847
Molecular FormulaC15H11Cl2F3N2O2
Molecular Weight379.17 g/mol
Exact Mass378.01
IUPAC NameN-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCOc1ncc(Cl)cc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H11Cl2F3N2O2/c16-9-7-12(17)14(22-8-9)24-6-5-21-13(23)10-3-1-2-4-11(10)15(18,19)20/h1-4,7-8H,5-6H2,(H,21,23)
InChIKeyHRXFRKHLTYFDBS-UHFFFAOYSA-N
XLogP4.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.17
LogP ≤ 54.22
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-[(2Z)-2-(3,5-dichloro-2-pyridinyl)-2-propoxyiminoethyl]-2-(trifluoromethyl)benzamide
CID 141385420
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-iodobenzamide
CID 74767005
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]pyridine-4-carboxamide
CID 75381423
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(2-hydroxyphenyl)acetamide
CID 71917205
2-chloro-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]benzamide
CID 74766924
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-(trifluoromethyl)benzamide
CID 27888731
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]thiadiazole-4-carboxamide
CID 71917382
3-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
CID 119900876
N-[(1Z)-1-(3,5-dichloro-2-pyridinyl)-1-methoxyiminopropan-2-yl]-2-(trifluoromethyl)benzamide
CID 118071683
N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide
CID 108542424
2-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
CID 119900842
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 71969137

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide (CID 74766847) is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide is O=C(NCCOc1ncc(Cl)cc1Cl)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is HRXFRKHLTYFDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3N2O2/c16-9-7-12(17)14(22-8-9)24-6-5-21-13(23)10-3-1-2-4-11(10)15(18,19)20/h1-4,7-8H,5-6H2,(H,21,23).
What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide?
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 379.17 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 74766847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).