N-[(1-benzhydryl-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide

C20H21F3N2O — CID 10473816

IUPACN-[(1-benzhydryl-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCC1(CNC(=O)C(F)(F)F)CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H21F3N2O/c1-19(12-24-18(26)20(21,22)23)13-25(14-19)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,24,26)
InChIKeyBUJHASNQUFZOPA-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.78
Rot. Bonds5

About N-[(1-benzhydryl-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide

N-[(1-benzhydryl-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 10473816) has the molecular formula C20H21F3N2O and a molecular weight of 362.40 g/mol. Its IUPAC name is N-[(1-benzhydryl-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1-benzhydryl-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID10473816
Molecular FormulaC20H21F3N2O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC NameN-[(1-benzhydryl-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCC1(CNC(=O)C(F)(F)F)CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H21F3N2O/c1-19(12-24-18(26)20(21,22)23)13-25(14-19)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,24,26)
InChIKeyBUJHASNQUFZOPA-UHFFFAOYSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzhydryl-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1-benzhydryl-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide (CID 10473816) is N-[(1-benzhydryl-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1-benzhydryl-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1-benzhydryl-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide is CC1(CNC(=O)C(F)(F)F)CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of N-[(1-benzhydryl-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is BUJHASNQUFZOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O/c1-19(12-24-18(26)20(21,22)23)13-25(14-19)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,24,26).
What are the key properties of N-[(1-benzhydryl-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
N-[(1-benzhydryl-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 362.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzhydryl-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 10473816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).