N-[3-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]acetamide

C13H15F3N2O — CID 134808349

IUPACN-[3-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]acetamide
SMILESCC(=O)NC1(C)CN(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H15F3N2O/c1-9(19)17-12(2)7-18(8-12)11-5-3-4-10(6-11)13(14,15)16/h3-6H,7-8H2,1-2H3,(H,17,19)
InChIKeyXSVFBAAFKGNANY-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.42
Rot. Bonds2

About N-[3-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]acetamide

N-[3-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]acetamide (PubChem CID 134808349) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is N-[3-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]acetamide
PubChem CID134808349
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC NameN-[3-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]acetamide
SMILESCC(=O)NC1(C)CN(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H15F3N2O/c1-9(19)17-12(2)7-18(8-12)11-5-3-4-10(6-11)13(14,15)16/h3-6H,7-8H2,1-2H3,(H,17,19)
InChIKeyXSVFBAAFKGNANY-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]acetamide?
The IUPAC name of N-[3-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]acetamide (CID 134808349) is N-[3-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]acetamide.
What is the SMILES notation for N-[3-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]acetamide?
The canonical SMILES for N-[3-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]acetamide is CC(=O)NC1(C)CN(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-[3-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]acetamide?
The InChIKey is XSVFBAAFKGNANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-9(19)17-12(2)7-18(8-12)11-5-3-4-10(6-11)13(14,15)16/h3-6H,7-8H2,1-2H3,(H,17,19).
What are the key properties of N-[3-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]acetamide?
N-[3-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]acetamide has a molecular weight of 272.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]acetamide is sourced from PubChem (CID 134808349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).