1-[2-(3,5-dimethylphenyl)acetyl]-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-2-carboxamide

C24H27F3N2O2 — CID 70559089

IUPAC1-[2-(3,5-dimethylphenyl)acetyl]-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-2-carboxamide
SMILESCc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C24H27F3N2O2/c1-16-11-17(2)13-19(12-16)14-21(30)29-10-9-23(29,3)22(31)28(4)15-18-5-7-20(8-6-18)24(25,26)27/h5-8,11-13H,9-10,14-15H2,1-4H3
InChIKeyBEZDUJLVHFSZNS-UHFFFAOYSA-N
MW432.49 g/mol
LogP4.51
Rot. Bonds5

About 1-[2-(3,5-dimethylphenyl)acetyl]-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-2-carboxamide

1-[2-(3,5-dimethylphenyl)acetyl]-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-2-carboxamide (PubChem CID 70559089) has the molecular formula C24H27F3N2O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenyl)acetyl]-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenyl)acetyl]-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-2-carboxamide
PubChem CID70559089
Molecular FormulaC24H27F3N2O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name1-[2-(3,5-dimethylphenyl)acetyl]-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-2-carboxamide
SMILESCc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C24H27F3N2O2/c1-16-11-17(2)13-19(12-16)14-21(30)29-10-9-23(29,3)22(31)28(4)15-18-5-7-20(8-6-18)24(25,26)27/h5-8,11-13H,9-10,14-15H2,1-4H3
InChIKeyBEZDUJLVHFSZNS-UHFFFAOYSA-N
XLogP4.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenyl)acetyl]-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-2-carboxamide?
The IUPAC name of 1-[2-(3,5-dimethylphenyl)acetyl]-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-2-carboxamide (CID 70559089) is 1-[2-(3,5-dimethylphenyl)acetyl]-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-2-carboxamide.
What is the SMILES notation for 1-[2-(3,5-dimethylphenyl)acetyl]-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-2-carboxamide?
The canonical SMILES for 1-[2-(3,5-dimethylphenyl)acetyl]-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-2-carboxamide is Cc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-[2-(3,5-dimethylphenyl)acetyl]-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-2-carboxamide?
The InChIKey is BEZDUJLVHFSZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O2/c1-16-11-17(2)13-19(12-16)14-21(30)29-10-9-23(29,3)22(31)28(4)15-18-5-7-20(8-6-18)24(25,26)27/h5-8,11-13H,9-10,14-15H2,1-4H3.
What are the key properties of 1-[2-(3,5-dimethylphenyl)acetyl]-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-2-carboxamide?
1-[2-(3,5-dimethylphenyl)acetyl]-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-2-carboxamide has a molecular weight of 432.49 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenyl)acetyl]-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-2-carboxamide is sourced from PubChem (CID 70559089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).