3-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]azetidine

C16H14Cl3N — CID 79459812

IUPAC3-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]azetidine
SMILESClc1ccc(CC2(c3ccccc3Cl)CNC2)cc1Cl
InChIInChI=1S/C16H14Cl3N/c17-13-4-2-1-3-12(13)16(9-20-10-16)8-11-5-6-14(18)15(19)7-11/h1-7,20H,8-10H2
InChIKeyACZNPDWPSRELCL-UHFFFAOYSA-N
MW326.65 g/mol
LogP4.73
Rot. Bonds3

About 3-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]azetidine

3-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]azetidine (PubChem CID 79459812) has the molecular formula C16H14Cl3N and a molecular weight of 326.65 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]azetidine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]azetidine
PubChem CID79459812
Molecular FormulaC16H14Cl3N
Molecular Weight326.65 g/mol
Exact Mass325.02
IUPAC Name3-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]azetidine
SMILESClc1ccc(CC2(c3ccccc3Cl)CNC2)cc1Cl
InChIInChI=1S/C16H14Cl3N/c17-13-4-2-1-3-12(13)16(9-20-10-16)8-11-5-6-14(18)15(19)7-11/h1-7,20H,8-10H2
InChIKeyACZNPDWPSRELCL-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.65
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]azetidine?
The IUPAC name of 3-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]azetidine (CID 79459812) is 3-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]azetidine.
What is the SMILES notation for 3-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]azetidine?
The canonical SMILES for 3-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]azetidine is Clc1ccc(CC2(c3ccccc3Cl)CNC2)cc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]azetidine?
The InChIKey is ACZNPDWPSRELCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3N/c17-13-4-2-1-3-12(13)16(9-20-10-16)8-11-5-6-14(18)15(19)7-11/h1-7,20H,8-10H2.
What are the key properties of 3-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]azetidine?
3-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]azetidine has a molecular weight of 326.65 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]azetidine is sourced from PubChem (CID 79459812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).