N-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide

C20H22F3N3O2 — CID 122251071

IUPACN-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CC(Oc3ncccc3C(F)(F)F)C2)cc1
InChIInChI=1S/C20H22F3N3O2/c1-19(2,3)13-6-8-14(9-7-13)25-18(27)26-11-15(12-26)28-17-16(20(21,22)23)5-4-10-24-17/h4-10,15H,11-12H2,1-3H3,(H,25,27)
InChIKeyCBEKGFLIRQMXLD-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.69
Rot. Bonds3

About N-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide

N-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide (PubChem CID 122251071) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
PubChem CID122251071
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC NameN-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CC(Oc3ncccc3C(F)(F)F)C2)cc1
InChIInChI=1S/C20H22F3N3O2/c1-19(2,3)13-6-8-14(9-7-13)25-18(27)26-11-15(12-26)28-17-16(20(21,22)23)5-4-10-24-17/h4-10,15H,11-12H2,1-3H3,(H,25,27)
InChIKeyCBEKGFLIRQMXLD-UHFFFAOYSA-N
XLogP4.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide (CID 122251071) is N-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide is CC(C)(C)c1ccc(NC(=O)N2CC(Oc3ncccc3C(F)(F)F)C2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
The InChIKey is CBEKGFLIRQMXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-19(2,3)13-6-8-14(9-7-13)25-18(27)26-11-15(12-26)28-17-16(20(21,22)23)5-4-10-24-17/h4-10,15H,11-12H2,1-3H3,(H,25,27).
What are the key properties of N-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
N-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide is sourced from PubChem (CID 122251071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).