ethyl 3-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate

C17H17F3N2O2 — CID 102436674

IUPACethyl 3-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
SMILESCCOC(=O)C(Cc1ccccc1)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H17F3N2O2/c1-2-24-16(23)14(10-12-6-4-3-5-7-12)22-15-9-8-13(11-21-15)17(18,19)20/h3-9,11,14H,2,10H2,1H3,(H,21,22)
InChIKeyBKHGDLWSJLHBDC-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.69
Rot. Bonds6

About ethyl 3-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate

ethyl 3-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate (PubChem CID 102436674) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is ethyl 3-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
PubChem CID102436674
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Nameethyl 3-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
SMILESCCOC(=O)C(Cc1ccccc1)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H17F3N2O2/c1-2-24-16(23)14(10-12-6-4-3-5-7-12)22-15-9-8-13(11-21-15)17(18,19)20/h3-9,11,14H,2,10H2,1H3,(H,21,22)
InChIKeyBKHGDLWSJLHBDC-UHFFFAOYSA-N
XLogP3.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 61498811
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-phenylpropanoate
CID 3406154
ethyl 2-[(5-tert-butyl-2-pyridinyl)amino]propanoate
CID 114011564
3-nitrososulfanyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
CID 44546246
methyl (2S)-3-phenyl-2-[3-(trifluoromethyl)anilino]propanoate
CID 162417638
ethyl 2-(2-nitroanilino)-3-phenylpropanoate
CID 175081818
3-ethoxy-3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid
CID 103973539
ethyl (2S)-2-formamido-3-phenylpropanoate
CID 10198363
3-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid
CID 104571555
6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 63011971
tert-butyl (2R)-3-phenyl-2-(pyridin-2-ylamino)propanoate
CID 132549421
(1-ethoxy-1-oxo-3-phenylpropan-2-yl)carbamodithioic acid
CID 11780574

Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
The IUPAC name of ethyl 3-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate (CID 102436674) is ethyl 3-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate.
What is the SMILES notation for ethyl 3-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
The canonical SMILES for ethyl 3-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate is CCOC(=O)C(Cc1ccccc1)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of ethyl 3-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
The InChIKey is BKHGDLWSJLHBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-2-24-16(23)14(10-12-6-4-3-5-7-12)22-15-9-8-13(11-21-15)17(18,19)20/h3-9,11,14H,2,10H2,1H3,(H,21,22).
What are the key properties of ethyl 3-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
ethyl 3-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate has a molecular weight of 338.33 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate is sourced from PubChem (CID 102436674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).