N-[4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]acetamide

C17H16F3N3O3 — CID 46499846

IUPACN-[4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2c(F)c(F)nc(N3CCOCC3)c2F)cc1
InChIInChI=1S/C17H16F3N3O3/c1-10(24)21-11-2-4-12(5-3-11)26-15-13(18)16(20)22-17(14(15)19)23-6-8-25-9-7-23/h2-5H,6-9H2,1H3,(H,21,24)
InChIKeyNHIAYOUCQDJLEX-UHFFFAOYSA-N
MW367.33 g/mol
LogP3.09
Rot. Bonds4

About N-[4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]acetamide

N-[4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]acetamide (PubChem CID 46499846) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is N-[4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]acetamide
PubChem CID46499846
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC NameN-[4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2c(F)c(F)nc(N3CCOCC3)c2F)cc1
InChIInChI=1S/C17H16F3N3O3/c1-10(24)21-11-2-4-12(5-3-11)26-15-13(18)16(20)22-17(14(15)19)23-6-8-25-9-7-23/h2-5H,6-9H2,1H3,(H,21,24)
InChIKeyNHIAYOUCQDJLEX-UHFFFAOYSA-N
XLogP3.09
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]acetamide?
The IUPAC name of N-[4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]acetamide (CID 46499846) is N-[4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]acetamide is CC(=O)Nc1ccc(Oc2c(F)c(F)nc(N3CCOCC3)c2F)cc1.
What is the InChIKey of N-[4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]acetamide?
The InChIKey is NHIAYOUCQDJLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-10(24)21-11-2-4-12(5-3-11)26-15-13(18)16(20)22-17(14(15)19)23-6-8-25-9-7-23/h2-5H,6-9H2,1H3,(H,21,24).
What are the key properties of N-[4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]acetamide?
N-[4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]acetamide has a molecular weight of 367.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]acetamide is sourced from PubChem (CID 46499846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).