3-[bis(4-chlorophenyl)methoxy]-N-cyclohexylazetidine-1-carboxamide

C23H26Cl2N2O2 — CID 68905973

IUPAC3-[bis(4-chlorophenyl)methoxy]-N-cyclohexylazetidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H26Cl2N2O2/c24-18-10-6-16(7-11-18)22(17-8-12-19(25)13-9-17)29-21-14-27(15-21)23(28)26-20-4-2-1-3-5-20/h6-13,20-22H,1-5,14-15H2,(H,26,28)
InChIKeyNHAQKABELOZPTD-UHFFFAOYSA-N
MW433.38 g/mol
LogP5.83
Rot. Bonds5

About 3-[bis(4-chlorophenyl)methoxy]-N-cyclohexylazetidine-1-carboxamide

3-[bis(4-chlorophenyl)methoxy]-N-cyclohexylazetidine-1-carboxamide (PubChem CID 68905973) has the molecular formula C23H26Cl2N2O2 and a molecular weight of 433.38 g/mol. Its IUPAC name is 3-[bis(4-chlorophenyl)methoxy]-N-cyclohexylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[bis(4-chlorophenyl)methoxy]-N-cyclohexylazetidine-1-carboxamide
PubChem CID68905973
Molecular FormulaC23H26Cl2N2O2
Molecular Weight433.38 g/mol
Exact Mass432.14
IUPAC Name3-[bis(4-chlorophenyl)methoxy]-N-cyclohexylazetidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H26Cl2N2O2/c24-18-10-6-16(7-11-18)22(17-8-12-19(25)13-9-17)29-21-14-27(15-21)23(28)26-20-4-2-1-3-5-20/h6-13,20-22H,1-5,14-15H2,(H,26,28)
InChIKeyNHAQKABELOZPTD-UHFFFAOYSA-N
XLogP5.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.38
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[bis(4-chlorophenyl)methoxy]-N-cyclohexylazetidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[bis(4-chlorophenyl)methoxy]-N-cyclohexylazetidine-1-carboxamide?
The IUPAC name of 3-[bis(4-chlorophenyl)methoxy]-N-cyclohexylazetidine-1-carboxamide (CID 68905973) is 3-[bis(4-chlorophenyl)methoxy]-N-cyclohexylazetidine-1-carboxamide.
What is the SMILES notation for 3-[bis(4-chlorophenyl)methoxy]-N-cyclohexylazetidine-1-carboxamide?
The canonical SMILES for 3-[bis(4-chlorophenyl)methoxy]-N-cyclohexylazetidine-1-carboxamide is O=C(NC1CCCCC1)N1CC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[bis(4-chlorophenyl)methoxy]-N-cyclohexylazetidine-1-carboxamide?
The InChIKey is NHAQKABELOZPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O2/c24-18-10-6-16(7-11-18)22(17-8-12-19(25)13-9-17)29-21-14-27(15-21)23(28)26-20-4-2-1-3-5-20/h6-13,20-22H,1-5,14-15H2,(H,26,28).
What are the key properties of 3-[bis(4-chlorophenyl)methoxy]-N-cyclohexylazetidine-1-carboxamide?
3-[bis(4-chlorophenyl)methoxy]-N-cyclohexylazetidine-1-carboxamide has a molecular weight of 433.38 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(4-chlorophenyl)methoxy]-N-cyclohexylazetidine-1-carboxamide is sourced from PubChem (CID 68905973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).