(3S,4S)-3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one

C17H15F3N2O — CID 124503570

IUPAC(3S,4S)-3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
SMILESCc1cccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H15F3N2O/c1-10-3-2-4-13(9-10)22-15(14(21)16(22)23)11-5-7-12(8-6-11)17(18,19)20/h2-9,14-15H,21H2,1H3/t14-,15-/m0/s1
InChIKeyNNNOVXSMYRQRQM-GJZGRUSLSA-N
MW320.31 g/mol
LogP3.43
Rot. Bonds2

About (3S,4S)-3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one

(3S,4S)-3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one (PubChem CID 124503570) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is (3S,4S)-3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
PubChem CID124503570
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name(3S,4S)-3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
SMILESCc1cccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H15F3N2O/c1-10-3-2-4-13(9-10)22-15(14(21)16(22)23)11-5-7-12(8-6-11)17(18,19)20/h2-9,14-15H,21H2,1H3/t14-,15-/m0/s1
InChIKeyNNNOVXSMYRQRQM-GJZGRUSLSA-N
XLogP3.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one?
The IUPAC name of (3S,4S)-3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one (CID 124503570) is (3S,4S)-3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one?
The canonical SMILES for (3S,4S)-3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one is Cc1cccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of (3S,4S)-3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one?
The InChIKey is NNNOVXSMYRQRQM-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H15F3N2O/c1-10-3-2-4-13(9-10)22-15(14(21)16(22)23)11-5-7-12(8-6-11)17(18,19)20/h2-9,14-15H,21H2,1H3/t14-,15-/m0/s1.
What are the key properties of (3S,4S)-3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one?
(3S,4S)-3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one has a molecular weight of 320.31 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one is sourced from PubChem (CID 124503570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).