methyl 2-[[N-(2-methoxy-2-oxoethyl)-2-(trifluoromethyl)anilino]methyl]benzoate

C19H18F3NO4 — CID 20667409

IUPACmethyl 2-[[N-(2-methoxy-2-oxoethyl)-2-(trifluoromethyl)anilino]methyl]benzoate
SMILESCOC(=O)CN(Cc1ccccc1C(=O)OC)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H18F3NO4/c1-26-17(24)12-23(16-10-6-5-9-15(16)19(20,21)22)11-13-7-3-4-8-14(13)18(25)27-2/h3-10H,11-12H2,1-2H3
InChIKeyOCRGMNMZUFIPSN-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.67
Rot. Bonds6

About methyl 2-[[N-(2-methoxy-2-oxoethyl)-2-(trifluoromethyl)anilino]methyl]benzoate

methyl 2-[[N-(2-methoxy-2-oxoethyl)-2-(trifluoromethyl)anilino]methyl]benzoate (PubChem CID 20667409) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is methyl 2-[[N-(2-methoxy-2-oxoethyl)-2-(trifluoromethyl)anilino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[N-(2-methoxy-2-oxoethyl)-2-(trifluoromethyl)anilino]methyl]benzoate
PubChem CID20667409
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Namemethyl 2-[[N-(2-methoxy-2-oxoethyl)-2-(trifluoromethyl)anilino]methyl]benzoate
SMILESCOC(=O)CN(Cc1ccccc1C(=O)OC)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H18F3NO4/c1-26-17(24)12-23(16-10-6-5-9-15(16)19(20,21)22)11-13-7-3-4-8-14(13)18(25)27-2/h3-10H,11-12H2,1-2H3
InChIKeyOCRGMNMZUFIPSN-UHFFFAOYSA-N
XLogP3.67
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[N-(2-methoxy-2-oxoethyl)-2-(trifluoromethyl)anilino]methyl]benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[N-(2-methoxy-2-oxoethyl)-2-(trifluoromethyl)anilino]methyl]benzoate?
The IUPAC name of methyl 2-[[N-(2-methoxy-2-oxoethyl)-2-(trifluoromethyl)anilino]methyl]benzoate (CID 20667409) is methyl 2-[[N-(2-methoxy-2-oxoethyl)-2-(trifluoromethyl)anilino]methyl]benzoate.
What is the SMILES notation for methyl 2-[[N-(2-methoxy-2-oxoethyl)-2-(trifluoromethyl)anilino]methyl]benzoate?
The canonical SMILES for methyl 2-[[N-(2-methoxy-2-oxoethyl)-2-(trifluoromethyl)anilino]methyl]benzoate is COC(=O)CN(Cc1ccccc1C(=O)OC)c1ccccc1C(F)(F)F.
What is the InChIKey of methyl 2-[[N-(2-methoxy-2-oxoethyl)-2-(trifluoromethyl)anilino]methyl]benzoate?
The InChIKey is OCRGMNMZUFIPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO4/c1-26-17(24)12-23(16-10-6-5-9-15(16)19(20,21)22)11-13-7-3-4-8-14(13)18(25)27-2/h3-10H,11-12H2,1-2H3.
What are the key properties of methyl 2-[[N-(2-methoxy-2-oxoethyl)-2-(trifluoromethyl)anilino]methyl]benzoate?
methyl 2-[[N-(2-methoxy-2-oxoethyl)-2-(trifluoromethyl)anilino]methyl]benzoate has a molecular weight of 381.35 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[N-(2-methoxy-2-oxoethyl)-2-(trifluoromethyl)anilino]methyl]benzoate is sourced from PubChem (CID 20667409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).