3-[(4-chlorophenyl)-[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-N-cyclohexylazetidine-1-carboxamide

C24H25ClF4N2O2 — CID 11202553

IUPAC3-[(4-chlorophenyl)-[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-N-cyclohexylazetidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CC(OC(c2ccc(Cl)cc2)c2ccc(F)cc2C(F)(F)F)C1
InChIInChI=1S/C24H25ClF4N2O2/c25-16-8-6-15(7-9-16)22(20-11-10-17(26)12-21(20)24(27,28)29)33-19-13-31(14-19)23(32)30-18-4-2-1-3-5-18/h6-12,18-19,22H,1-5,13-14H2,(H,30,32)
InChIKeyMSOLSOQZIQEGTJ-UHFFFAOYSA-N
MW484.92 g/mol
LogP6.33
Rot. Bonds5

About 3-[(4-chlorophenyl)-[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-N-cyclohexylazetidine-1-carboxamide

3-[(4-chlorophenyl)-[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-N-cyclohexylazetidine-1-carboxamide (PubChem CID 11202553) has the molecular formula C24H25ClF4N2O2 and a molecular weight of 484.92 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-N-cyclohexylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-N-cyclohexylazetidine-1-carboxamide
PubChem CID11202553
Molecular FormulaC24H25ClF4N2O2
Molecular Weight484.92 g/mol
Exact Mass484.15
IUPAC Name3-[(4-chlorophenyl)-[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-N-cyclohexylazetidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CC(OC(c2ccc(Cl)cc2)c2ccc(F)cc2C(F)(F)F)C1
InChIInChI=1S/C24H25ClF4N2O2/c25-16-8-6-15(7-9-16)22(20-11-10-17(26)12-21(20)24(27,28)29)33-19-13-31(14-19)23(32)30-18-4-2-1-3-5-18/h6-12,18-19,22H,1-5,13-14H2,(H,30,32)
InChIKeyMSOLSOQZIQEGTJ-UHFFFAOYSA-N
XLogP6.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.92
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-N-cyclohexylazetidine-1-carboxamide?
The IUPAC name of 3-[(4-chlorophenyl)-[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-N-cyclohexylazetidine-1-carboxamide (CID 11202553) is 3-[(4-chlorophenyl)-[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-N-cyclohexylazetidine-1-carboxamide.
What is the SMILES notation for 3-[(4-chlorophenyl)-[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-N-cyclohexylazetidine-1-carboxamide?
The canonical SMILES for 3-[(4-chlorophenyl)-[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-N-cyclohexylazetidine-1-carboxamide is O=C(NC1CCCCC1)N1CC(OC(c2ccc(Cl)cc2)c2ccc(F)cc2C(F)(F)F)C1.
What is the InChIKey of 3-[(4-chlorophenyl)-[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-N-cyclohexylazetidine-1-carboxamide?
The InChIKey is MSOLSOQZIQEGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF4N2O2/c25-16-8-6-15(7-9-16)22(20-11-10-17(26)12-21(20)24(27,28)29)33-19-13-31(14-19)23(32)30-18-4-2-1-3-5-18/h6-12,18-19,22H,1-5,13-14H2,(H,30,32).
What are the key properties of 3-[(4-chlorophenyl)-[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-N-cyclohexylazetidine-1-carboxamide?
3-[(4-chlorophenyl)-[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-N-cyclohexylazetidine-1-carboxamide has a molecular weight of 484.92 g/mol, XLogP of 6.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-N-cyclohexylazetidine-1-carboxamide is sourced from PubChem (CID 11202553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).