3-amino-1-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one

C16H12ClF3N2O — CID 102537065

IUPAC3-amino-1-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
SMILESNC1C(=O)N(c2ccc(Cl)cc2)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12ClF3N2O/c17-11-5-7-12(8-6-11)22-14(13(21)15(22)23)9-1-3-10(4-2-9)16(18,19)20/h1-8,13-14H,21H2
InChIKeyDZYIOQCYLRLLKA-UHFFFAOYSA-N
MW340.73 g/mol
LogP3.77
Rot. Bonds2

About 3-amino-1-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one

3-amino-1-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one (PubChem CID 102537065) has the molecular formula C16H12ClF3N2O and a molecular weight of 340.73 g/mol. Its IUPAC name is 3-amino-1-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one.

Molecular Properties

Compound Name3-amino-1-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
PubChem CID102537065
Molecular FormulaC16H12ClF3N2O
Molecular Weight340.73 g/mol
Exact Mass340.06
IUPAC Name3-amino-1-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
SMILESNC1C(=O)N(c2ccc(Cl)cc2)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12ClF3N2O/c17-11-5-7-12(8-6-11)22-14(13(21)15(22)23)9-1-3-10(4-2-9)16(18,19)20/h1-8,13-14H,21H2
InChIKeyDZYIOQCYLRLLKA-UHFFFAOYSA-N
XLogP3.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.73
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one?
The IUPAC name of 3-amino-1-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one (CID 102537065) is 3-amino-1-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one.
What is the SMILES notation for 3-amino-1-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one?
The canonical SMILES for 3-amino-1-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one is NC1C(=O)N(c2ccc(Cl)cc2)C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-amino-1-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one?
The InChIKey is DZYIOQCYLRLLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O/c17-11-5-7-12(8-6-11)22-14(13(21)15(22)23)9-1-3-10(4-2-9)16(18,19)20/h1-8,13-14H,21H2.
What are the key properties of 3-amino-1-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one?
3-amino-1-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one has a molecular weight of 340.73 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one is sourced from PubChem (CID 102537065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).