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

C21H24Cl2N2O2 — CID 68904215

IUPAC3-[bis(4-chlorophenyl)methoxy]-N-tert-butylazetidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H24Cl2N2O2/c1-21(2,3)24-20(26)25-12-18(13-25)27-19(14-4-8-16(22)9-5-14)15-6-10-17(23)11-7-15/h4-11,18-19H,12-13H2,1-3H3,(H,24,26)
InChIKeyJIJVOTYIBJGZDJ-UHFFFAOYSA-N
MW407.34 g/mol
LogP5.29
Rot. Bonds4

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

3-[bis(4-chlorophenyl)methoxy]-N-tert-butylazetidine-1-carboxamide (PubChem CID 68904215) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is 3-[bis(4-chlorophenyl)methoxy]-N-tert-butylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[bis(4-chlorophenyl)methoxy]-N-tert-butylazetidine-1-carboxamide
PubChem CID68904215
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC Name3-[bis(4-chlorophenyl)methoxy]-N-tert-butylazetidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H24Cl2N2O2/c1-21(2,3)24-20(26)25-12-18(13-25)27-19(14-4-8-16(22)9-5-14)15-6-10-17(23)11-7-15/h4-11,18-19H,12-13H2,1-3H3,(H,24,26)
InChIKeyJIJVOTYIBJGZDJ-UHFFFAOYSA-N
XLogP5.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.34
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[bis(4-chlorophenyl)methoxy]-N-tert-butylazetidine-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-tert-butylazetidine-1-carboxamide?
The IUPAC name of 3-[bis(4-chlorophenyl)methoxy]-N-tert-butylazetidine-1-carboxamide (CID 68904215) is 3-[bis(4-chlorophenyl)methoxy]-N-tert-butylazetidine-1-carboxamide.
What is the SMILES notation for 3-[bis(4-chlorophenyl)methoxy]-N-tert-butylazetidine-1-carboxamide?
The canonical SMILES for 3-[bis(4-chlorophenyl)methoxy]-N-tert-butylazetidine-1-carboxamide is CC(C)(C)NC(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[bis(4-chlorophenyl)methoxy]-N-tert-butylazetidine-1-carboxamide?
The InChIKey is JIJVOTYIBJGZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O2/c1-21(2,3)24-20(26)25-12-18(13-25)27-19(14-4-8-16(22)9-5-14)15-6-10-17(23)11-7-15/h4-11,18-19H,12-13H2,1-3H3,(H,24,26).
What are the key properties of 3-[bis(4-chlorophenyl)methoxy]-N-tert-butylazetidine-1-carboxamide?
3-[bis(4-chlorophenyl)methoxy]-N-tert-butylazetidine-1-carboxamide has a molecular weight of 407.34 g/mol, XLogP of 5.29, 4 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-tert-butylazetidine-1-carboxamide is sourced from PubChem (CID 68904215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).