ethyl 5-phenyl-2-[[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzoate

C20H20F3NO4 — CID 52503176

IUPACethyl 5-phenyl-2-[[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzoate
SMILESCCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)[C@@H](C)OCC(F)(F)F
InChIInChI=1S/C20H20F3NO4/c1-3-27-19(26)16-11-15(14-7-5-4-6-8-14)9-10-17(16)24-18(25)13(2)28-12-20(21,22)23/h4-11,13H,3,12H2,1-2H3,(H,24,25)/t13-/m1/s1
InChIKeyCQMWUGJNDKSJND-CYBMUJFWSA-N
MW395.38 g/mol
LogP4.44
Rot. Bonds7

About ethyl 5-phenyl-2-[[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzoate

ethyl 5-phenyl-2-[[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzoate (PubChem CID 52503176) has the molecular formula C20H20F3NO4 and a molecular weight of 395.38 g/mol. Its IUPAC name is ethyl 5-phenyl-2-[[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 5-phenyl-2-[[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzoate
PubChem CID52503176
Molecular FormulaC20H20F3NO4
Molecular Weight395.38 g/mol
Exact Mass395.13
IUPAC Nameethyl 5-phenyl-2-[[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzoate
SMILESCCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)[C@@H](C)OCC(F)(F)F
InChIInChI=1S/C20H20F3NO4/c1-3-27-19(26)16-11-15(14-7-5-4-6-8-14)9-10-17(16)24-18(25)13(2)28-12-20(21,22)23/h4-11,13H,3,12H2,1-2H3,(H,24,25)/t13-/m1/s1
InChIKeyCQMWUGJNDKSJND-CYBMUJFWSA-N
XLogP4.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 5-phenyl-2-[[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzoate 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-(2-carbamothioylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 43105337
3-[(2-ethoxycarbonyl-4-phenylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122087895
N-(2-benzoyl-4-nitrophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 78873840
(2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943627
(2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38900928
N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 16794251
(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38910693
ethyl 2-[(2-methyl-3-phenylpropanoyl)amino]benzoate
CID 110356214
ethyl 2-[2-(3,5-dimethylphenoxy)propanoylamino]benzoate
CID 17034409
ethyl 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzoate
CID 92685092
(2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38938244
ethyl 2-[(4-phenylphenyl)methoxy]propanoate
CID 58354424

Frequently Asked Questions

What is the IUPAC name of ethyl 5-phenyl-2-[[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzoate?
The IUPAC name of ethyl 5-phenyl-2-[[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzoate (CID 52503176) is ethyl 5-phenyl-2-[[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzoate.
What is the SMILES notation for ethyl 5-phenyl-2-[[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzoate?
The canonical SMILES for ethyl 5-phenyl-2-[[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzoate is CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)[C@@H](C)OCC(F)(F)F.
What is the InChIKey of ethyl 5-phenyl-2-[[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzoate?
The InChIKey is CQMWUGJNDKSJND-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20F3NO4/c1-3-27-19(26)16-11-15(14-7-5-4-6-8-14)9-10-17(16)24-18(25)13(2)28-12-20(21,22)23/h4-11,13H,3,12H2,1-2H3,(H,24,25)/t13-/m1/s1.
What are the key properties of ethyl 5-phenyl-2-[[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzoate?
ethyl 5-phenyl-2-[[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzoate has a molecular weight of 395.38 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenyl-2-[[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzoate is sourced from PubChem (CID 52503176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).