[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate

C19H16F3NO3 — CID 9415903

IUPAC[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate
SMILESO=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3NO3/c20-19(21,22)14-8-4-7-13(11-14)18(25)26-16(12-5-2-1-3-6-12)17(24)23-15-9-10-15/h1-8,11,15-16H,9-10H2,(H,23,24)/t16-/m1/s1
InChIKeyWNNXGAVXIYFUQJ-MRXNPFEDSA-N
MW363.34 g/mol
LogP3.88
Rot. Bonds5

About [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate (PubChem CID 9415903) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate
PubChem CID9415903
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate
SMILESO=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3NO3/c20-19(21,22)14-8-4-7-13(11-14)18(25)26-16(12-5-2-1-3-6-12)17(24)23-15-9-10-15/h1-8,11,15-16H,9-10H2,(H,23,24)/t16-/m1/s1
InChIKeyWNNXGAVXIYFUQJ-MRXNPFEDSA-N
XLogP3.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate
CID 9415143
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate
CID 7838955
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] quinoxaline-6-carboxylate
CID 47009412
[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate
CID 2427062
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 46824315
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 31594793
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate
CID 18198888
[(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 4-chlorobenzoate
CID 2360642
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 45353287
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-amino-1,3-benzothiazole-6-carboxylate
CID 40690254
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
CID 7506538
[(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclopropanecarboxylate
CID 7863853

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate?
The IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate (CID 9415903) is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate.
What is the SMILES notation for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate?
The canonical SMILES for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate is O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate?
The InChIKey is WNNXGAVXIYFUQJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H16F3NO3/c20-19(21,22)14-8-4-7-13(11-14)18(25)26-16(12-5-2-1-3-6-12)17(24)23-15-9-10-15/h1-8,11,15-16H,9-10H2,(H,23,24)/t16-/m1/s1.
What are the key properties of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate?
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate has a molecular weight of 363.34 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate is sourced from PubChem (CID 9415903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).