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

C21H23F3N2O — CID 58944882

IUPACN-[(1-benzhydryl-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCCC1(CNC(=O)C(F)(F)F)CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H23F3N2O/c1-2-20(13-25-19(27)21(22,23)24)14-26(15-20)18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3,(H,25,27)
InChIKeyGGUOKGCCFANNIG-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.17
Rot. Bonds6

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

N-[(1-benzhydryl-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 58944882) has the molecular formula C21H23F3N2O and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[(1-benzhydryl-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1-benzhydryl-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID58944882
Molecular FormulaC21H23F3N2O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC NameN-[(1-benzhydryl-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCCC1(CNC(=O)C(F)(F)F)CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H23F3N2O/c1-2-20(13-25-19(27)21(22,23)24)14-26(15-20)18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3,(H,25,27)
InChIKeyGGUOKGCCFANNIG-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-benzhydryl-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide 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 N-[(1-benzhydryl-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1-benzhydryl-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide (CID 58944882) is N-[(1-benzhydryl-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1-benzhydryl-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1-benzhydryl-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide is CCC1(CNC(=O)C(F)(F)F)CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of N-[(1-benzhydryl-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is GGUOKGCCFANNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O/c1-2-20(13-25-19(27)21(22,23)24)14-26(15-20)18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3,(H,25,27).
What are the key properties of N-[(1-benzhydryl-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
N-[(1-benzhydryl-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 376.42 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzhydryl-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 58944882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).