(3S)-3-benzyl-N-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide

C20H19F3N2O2 — CID 154449926

IUPAC(3S)-3-benzyl-N-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@H](Cc2ccccc2)C1=O
InChIInChI=1S/C20H19F3N2O2/c1-24(12-15-7-9-17(10-8-15)20(21,22)23)19(27)25-13-16(18(25)26)11-14-5-3-2-4-6-14/h2-10,16H,11-13H2,1H3/t16-/m0/s1
InChIKeyGEOHTIWRPKXWJQ-INIZCTEOSA-N
MW376.38 g/mol
LogP3.96
Rot. Bonds4

About (3S)-3-benzyl-N-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide

(3S)-3-benzyl-N-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide (PubChem CID 154449926) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is (3S)-3-benzyl-N-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-benzyl-N-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide
PubChem CID154449926
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name(3S)-3-benzyl-N-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@H](Cc2ccccc2)C1=O
InChIInChI=1S/C20H19F3N2O2/c1-24(12-15-7-9-17(10-8-15)20(21,22)23)19(27)25-13-16(18(25)26)11-14-5-3-2-4-6-14/h2-10,16H,11-13H2,1H3/t16-/m0/s1
InChIKeyGEOHTIWRPKXWJQ-INIZCTEOSA-N
XLogP3.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-N-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide?
The IUPAC name of (3S)-3-benzyl-N-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide (CID 154449926) is (3S)-3-benzyl-N-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide.
What is the SMILES notation for (3S)-3-benzyl-N-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide?
The canonical SMILES for (3S)-3-benzyl-N-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@H](Cc2ccccc2)C1=O.
What is the InChIKey of (3S)-3-benzyl-N-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide?
The InChIKey is GEOHTIWRPKXWJQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-24(12-15-7-9-17(10-8-15)20(21,22)23)19(27)25-13-16(18(25)26)11-14-5-3-2-4-6-14/h2-10,16H,11-13H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-3-benzyl-N-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide?
(3S)-3-benzyl-N-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-N-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide is sourced from PubChem (CID 154449926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).