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

C22H25F3N2O2 — CID 11292673

IUPACN-tert-butyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC(OC(c2ccccc2)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C22H25F3N2O2/c1-21(2,3)26-20(28)27-13-16(14-27)29-19(15-9-5-4-6-10-15)17-11-7-8-12-18(17)22(23,24)25/h4-12,16,19H,13-14H2,1-3H3,(H,26,28)
InChIKeyNMVHPPLPCPNGLX-UHFFFAOYSA-N
MW406.45 g/mol
LogP5.00
Rot. Bonds4

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

N-tert-butyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide (PubChem CID 11292673) has the molecular formula C22H25F3N2O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-tert-butyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
PubChem CID11292673
Molecular FormulaC22H25F3N2O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC NameN-tert-butyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC(OC(c2ccccc2)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C22H25F3N2O2/c1-21(2,3)26-20(28)27-13-16(14-27)29-19(15-9-5-4-6-10-15)17-11-7-8-12-18(17)22(23,24)25/h4-12,16,19H,13-14H2,1-3H3,(H,26,28)
InChIKeyNMVHPPLPCPNGLX-UHFFFAOYSA-N
XLogP5.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 11201815
N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(1,1-difluoroethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 171493849
N-tert-butyl-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide
CID 11235177
N-tert-butyl-3-[[2-fluoro-4-(piperidine-1-carbonyl)phenyl]-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 11376074
N-butan-2-yl-3-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 11236328
N-(1-adamantyl)-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 11167996
N-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-3-[(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 166785776
N-(3-ethyl-3-bicyclo[3.2.1]octanyl)-3-[(4-methylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 167069069
N-tert-butyl-3-[1-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide
CID 170655915
1-benzhydryl-3-[(4-methylsulfonylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine
CID 68902535
1-benzhydryl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine
CID 68906138
3-[(2,4-dichlorophenyl)-phenylmethoxy]-N-(2,4,4-trimethylpentan-2-yl)azetidine-1-carboxamide
CID 142774735

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The IUPAC name of N-tert-butyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide (CID 11292673) is N-tert-butyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide is CC(C)(C)NC(=O)N1CC(OC(c2ccccc2)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-tert-butyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The InChIKey is NMVHPPLPCPNGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O2/c1-21(2,3)26-20(28)27-13-16(14-27)29-19(15-9-5-4-6-10-15)17-11-7-8-12-18(17)22(23,24)25/h4-12,16,19H,13-14H2,1-3H3,(H,26,28).
What are the key properties of N-tert-butyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
N-tert-butyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 5.00, 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-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide is sourced from PubChem (CID 11292673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).