N-cyclohexyl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide

C24H26F4N2O2 — CID 11282361

IUPACN-cyclohexyl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CC(OC(c2ccc(F)cc2)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C24H26F4N2O2/c25-17-12-10-16(11-13-17)22(20-8-4-5-9-21(20)24(26,27)28)32-19-14-30(15-19)23(31)29-18-6-2-1-3-7-18/h4-5,8-13,18-19,22H,1-3,6-7,14-15H2,(H,29,31)
InChIKeyMPZMPPJJGNTVHR-UHFFFAOYSA-N
MW450.48 g/mol
LogP5.68
Rot. Bonds5

About N-cyclohexyl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide

N-cyclohexyl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide (PubChem CID 11282361) has the molecular formula C24H26F4N2O2 and a molecular weight of 450.48 g/mol. Its IUPAC name is N-cyclohexyl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
PubChem CID11282361
Molecular FormulaC24H26F4N2O2
Molecular Weight450.48 g/mol
Exact Mass450.19
IUPAC NameN-cyclohexyl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CC(OC(c2ccc(F)cc2)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C24H26F4N2O2/c25-17-12-10-16(11-13-17)22(20-8-4-5-9-21(20)24(26,27)28)32-19-14-30(15-19)23(31)29-18-6-2-1-3-7-18/h4-5,8-13,18-19,22H,1-3,6-7,14-15H2,(H,29,31)
InChIKeyMPZMPPJJGNTVHR-UHFFFAOYSA-N
XLogP5.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.48
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide (CID 11282361) is N-cyclohexyl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide is O=C(NC1CCCCC1)N1CC(OC(c2ccc(F)cc2)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-cyclohexyl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The InChIKey is MPZMPPJJGNTVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N2O2/c25-17-12-10-16(11-13-17)22(20-8-4-5-9-21(20)24(26,27)28)32-19-14-30(15-19)23(31)29-18-6-2-1-3-7-18/h4-5,8-13,18-19,22H,1-3,6-7,14-15H2,(H,29,31).
What are the key properties of N-cyclohexyl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
N-cyclohexyl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide has a molecular weight of 450.48 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide is sourced from PubChem (CID 11282361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).