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

C24H27F3N2O2 — CID 11453265

IUPACN-cyclohexyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CC(OC(c2ccccc2)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C24H27F3N2O2/c25-24(26,27)21-14-8-7-13-20(21)22(17-9-3-1-4-10-17)31-19-15-29(16-19)23(30)28-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18-19,22H,2,5-6,11-12,15-16H2,(H,28,30)
InChIKeyAHAYYOYPIVITNU-UHFFFAOYSA-N
MW432.49 g/mol
LogP5.54
Rot. Bonds5

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

N-cyclohexyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide (PubChem CID 11453265) has the molecular formula C24H27F3N2O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is N-cyclohexyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
PubChem CID11453265
Molecular FormulaC24H27F3N2O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC NameN-cyclohexyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CC(OC(c2ccccc2)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C24H27F3N2O2/c25-24(26,27)21-14-8-7-13-20(21)22(17-9-3-1-4-10-17)31-19-15-29(16-19)23(30)28-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18-19,22H,2,5-6,11-12,15-16H2,(H,28,30)
InChIKeyAHAYYOYPIVITNU-UHFFFAOYSA-N
XLogP5.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.49
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide (CID 11453265) is N-cyclohexyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide is O=C(NC1CCCCC1)N1CC(OC(c2ccccc2)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-cyclohexyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The InChIKey is AHAYYOYPIVITNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O2/c25-24(26,27)21-14-8-7-13-20(21)22(17-9-3-1-4-10-17)31-19-15-29(16-19)23(30)28-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18-19,22H,2,5-6,11-12,15-16H2,(H,28,30).
What are the key properties of N-cyclohexyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
N-cyclohexyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide has a molecular weight of 432.49 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide is sourced from PubChem (CID 11453265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).