N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-pyridin-3-yloxamide

C16H14F3N3O3 — CID 56765499

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-pyridin-3-yloxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cccnc1
InChIInChI=1S/C16H14F3N3O3/c17-16(18,19)11-5-3-10(4-6-11)13(23)9-21-14(24)15(25)22-12-2-1-7-20-8-12/h1-8,13,23H,9H2,(H,21,24)(H,22,25)
InChIKeyRJUJYDUTXRMTHR-UHFFFAOYSA-N
MW353.30 g/mol
LogP1.89
Rot. Bonds4

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-pyridin-3-yloxamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-pyridin-3-yloxamide (PubChem CID 56765499) has the molecular formula C16H14F3N3O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-pyridin-3-yloxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-pyridin-3-yloxamide
PubChem CID56765499
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30 g/mol
Exact Mass353.10
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-pyridin-3-yloxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cccnc1
InChIInChI=1S/C16H14F3N3O3/c17-16(18,19)11-5-3-10(4-6-11)13(23)9-21-14(24)15(25)22-12-2-1-7-20-8-12/h1-8,13,23H,9H2,(H,21,24)(H,22,25)
InChIKeyRJUJYDUTXRMTHR-UHFFFAOYSA-N
XLogP1.89
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-pyridin-3-yloxamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-pyridin-3-yloxamide (CID 56765499) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-pyridin-3-yloxamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-pyridin-3-yloxamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-pyridin-3-yloxamide is O=C(NCC(O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cccnc1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-pyridin-3-yloxamide?
The InChIKey is RJUJYDUTXRMTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3/c17-16(18,19)11-5-3-10(4-6-11)13(23)9-21-14(24)15(25)22-12-2-1-7-20-8-12/h1-8,13,23H,9H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-pyridin-3-yloxamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-pyridin-3-yloxamide has a molecular weight of 353.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-pyridin-3-yloxamide is sourced from PubChem (CID 56765499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).