(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 131709262
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropanoic acid
CID 62231889
tert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 141074386
N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791829
N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 90694637
1-acetyl-N-methyl-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 39915165
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexa-2,4-dienamide
CID 102603438
(3S)-2-benzyl-5-tert-butyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide
CID 134955801
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 31051670
1-[(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoyl]imidazolidin-2-one
CID 8595959
[4-(trifluoromethyl)phenyl] N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 177453696
ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 60636161

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).