N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide

C22H24ClF3N2O2 — CID 68902536

IUPACN-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC(O[C@H](c2ccc(Cl)cc2)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C22H24ClF3N2O2/c1-21(2,3)27-20(29)28-12-16(13-28)30-19(14-8-10-15(23)11-9-14)17-6-4-5-7-18(17)22(24,25)26/h4-11,16,19H,12-13H2,1-3H3,(H,27,29)/t19-/m1/s1
InChIKeyBNLYOVHLLDBOFZ-LJQANCHMSA-N
MW440.89 g/mol
LogP5.66
Rot. Bonds4

About N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide

N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide (PubChem CID 68902536) has the molecular formula C22H24ClF3N2O2 and a molecular weight of 440.89 g/mol. Its IUPAC name is N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
PubChem CID68902536
Molecular FormulaC22H24ClF3N2O2
Molecular Weight440.89 g/mol
Exact Mass440.15
IUPAC NameN-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC(O[C@H](c2ccc(Cl)cc2)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C22H24ClF3N2O2/c1-21(2,3)27-20(29)28-12-16(13-28)30-19(14-8-10-15(23)11-9-14)17-6-4-5-7-18(17)22(24,25)26/h4-11,16,19H,12-13H2,1-3H3,(H,27,29)/t19-/m1/s1
InChIKeyBNLYOVHLLDBOFZ-LJQANCHMSA-N
XLogP5.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.89
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4,4'-dichlorobenzhydryloxy)-N-(tert-butyl)azetidine-1-carboxamide
CID 68904215
3-[2-(trifluoromethyl)-4-fluoro-4'-chlorobenzhydryloxy]-N-(cyclohexyl)azetidine-1-carboxamide
CID 11202553
3-[2-(trifluoromethyl)-4'-chlorobenzhydryloxy]-N-methyl-N-benzyl-azetidine-1-carboxamide
CID 11202628
3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-(2,4,4-trimethylpentan-2-yl)azetidine-1-carboxamide
CID 11214137
3-[2-(trifluoromethyl)-4'-methylbenzhydryloxy]-N-(cyclohexyl)-azetidine-1-carboxamide
CID 11236190
3-[2-(trifluoromethyl)-4-fluoro-4'-chlorobenzhydryloxy]-N-(tert-butyl)azetidine-1-carboxamide
CID 11259675
3-[2-(trifluoromethyl)-4'-chlorobenzhydryloxy]-N-(allyl)azetidine-1-carboxamide
CID 11281714
3-[(4-chlorophenyl)-[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-N-propan-2-ylazetidine-1-carboxamide
CID 11282226
3-[2-(trifluoromethyl)benzhydryloxy]-N-(tert-butyl)azetidine-1-carboxamide
CID 11292673
3-[2-(trifluoromethyl)-4'-fluorobenzhydryloxy]-N-(sec-butyl)azetidine 1-carboxamide
CID 11293171
3-[2-(trifluoromethyl)-4-fluoro-4'-chlorobenzhydryloxy]-N-(benzyl)azetidine-1-carboxamide
CID 11294830
3-[2-(trifluoromethyl)benzhydryloxy]-N-(sec-butyl)azetidine-1-carboxamide
CID 11304310

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The IUPAC name of N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide (CID 68902536) is N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide is CC(C)(C)NC(=O)N1CC(O[C@H](c2ccc(Cl)cc2)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The InChIKey is BNLYOVHLLDBOFZ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24ClF3N2O2/c1-21(2,3)27-20(29)28-12-16(13-28)30-19(14-8-10-15(23)11-9-14)17-6-4-5-7-18(17)22(24,25)26/h4-11,16,19H,12-13H2,1-3H3,(H,27,29)/t19-/m1/s1.
What are the key properties of N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide has a molecular weight of 440.89 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide is sourced from PubChem (CID 68902536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).