methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]azetidine-3-carboxylate

C23H26Cl2N2O2 — CID 166534514

IUPACmethyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]azetidine-3-carboxylate
SMILESCOC(=O)C1CN(Cc2c(C)cc(C3CN(c4c(Cl)cccc4Cl)C3)cc2C)C1
InChIInChI=1S/C23H26Cl2N2O2/c1-14-7-16(17-11-27(12-17)22-20(24)5-4-6-21(22)25)8-15(2)19(14)13-26-9-18(10-26)23(28)29-3/h4-8,17-18H,9-13H2,1-3H3
InChIKeyUWYJOVXDUQYIJX-UHFFFAOYSA-N
MW433.38 g/mol
LogP4.82
Rot. Bonds5

About methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]azetidine-3-carboxylate

methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]azetidine-3-carboxylate (PubChem CID 166534514) has the molecular formula C23H26Cl2N2O2 and a molecular weight of 433.38 g/mol. Its IUPAC name is methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]azetidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]azetidine-3-carboxylate
PubChem CID166534514
Molecular FormulaC23H26Cl2N2O2
Molecular Weight433.38 g/mol
Exact Mass432.14
IUPAC Namemethyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]azetidine-3-carboxylate
SMILESCOC(=O)C1CN(Cc2c(C)cc(C3CN(c4c(Cl)cccc4Cl)C3)cc2C)C1
InChIInChI=1S/C23H26Cl2N2O2/c1-14-7-16(17-11-27(12-17)22-20(24)5-4-6-21(22)25)8-15(2)19(14)13-26-9-18(10-26)23(28)29-3/h4-8,17-18H,9-13H2,1-3H3
InChIKeyUWYJOVXDUQYIJX-UHFFFAOYSA-N
XLogP4.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]azetidine-3-carboxylate with MolForge

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Related Compounds

methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methyl]piperidine-4-carboxylate
CID 166534841
1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-4-methylpiperidine
CID 167246756
methyl 1-[[2,6-dimethyl-4-(1-phenylazetidin-3-yl)phenyl]methyl]piperidine-4-carboxylate
CID 166534524
1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 171807760
methyl 1-[[2-cyclopropyl-4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]piperidine-4-carboxylate
CID 166534542
1-[[2-chloro-4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-6-methylphenyl]methyl]-3-methylazetidin-3-ol;formic acid
CID 175982105
methyl 1-[[5-[1-(2,6-dichlorophenyl)azetidin-3-yl]-4-methyl-2-pyridinyl]methyl]piperidine-4-carboxylate
CID 166534874
methyl 1-[[6-[1-(2,6-dichlorophenyl)azetidin-3-yl]-5-methyl-3-pyridinyl]methyl]piperidine-4-carboxylate
CID 166534897
methyl 1-[[5-[1-(2,6-dichlorophenyl)azetidin-3-yl]-4,6-dimethyl-2-pyridinyl]methyl]piperidine-4-carboxylate
CID 166534649
methyl 1-[[6-[1-(2,6-dichlorophenyl)azetidin-3-yl]-4-methyl-3-pyridinyl]methyl]piperidine-4-carboxylate
CID 166534572
[4-[1-(2-chloro-6-methylphenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methanol
CID 170736567
methyl 1-[2-[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]propan-2-yl]piperidine-4-carboxylate
CID 166534830

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]azetidine-3-carboxylate?
The IUPAC name of methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]azetidine-3-carboxylate (CID 166534514) is methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]azetidine-3-carboxylate.
What is the SMILES notation for methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]azetidine-3-carboxylate?
The canonical SMILES for methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]azetidine-3-carboxylate is COC(=O)C1CN(Cc2c(C)cc(C3CN(c4c(Cl)cccc4Cl)C3)cc2C)C1.
What is the InChIKey of methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]azetidine-3-carboxylate?
The InChIKey is UWYJOVXDUQYIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O2/c1-14-7-16(17-11-27(12-17)22-20(24)5-4-6-21(22)25)8-15(2)19(14)13-26-9-18(10-26)23(28)29-3/h4-8,17-18H,9-13H2,1-3H3.
What are the key properties of methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]azetidine-3-carboxylate?
methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]azetidine-3-carboxylate has a molecular weight of 433.38 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]azetidine-3-carboxylate is sourced from PubChem (CID 166534514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).