ethyl 3-[5-acetamido-2-[4-(trifluoromethoxy)phenyl]phenyl]propanoate

C20H20F3NO4 — CID 70806282

IUPACethyl 3-[5-acetamido-2-[4-(trifluoromethoxy)phenyl]phenyl]propanoate
SMILESCCOC(=O)CCc1cc(NC(C)=O)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H20F3NO4/c1-3-27-19(26)11-6-15-12-16(24-13(2)25)7-10-18(15)14-4-8-17(9-5-14)28-20(21,22)23/h4-5,7-10,12H,3,6,11H2,1-2H3,(H,24,25)
InChIKeyCGRNPLPSZGMXAJ-UHFFFAOYSA-N
MW395.38 g/mol
LogP4.71
Rot. Bonds7

About ethyl 3-[5-acetamido-2-[4-(trifluoromethoxy)phenyl]phenyl]propanoate

ethyl 3-[5-acetamido-2-[4-(trifluoromethoxy)phenyl]phenyl]propanoate (PubChem CID 70806282) has the molecular formula C20H20F3NO4 and a molecular weight of 395.38 g/mol. Its IUPAC name is ethyl 3-[5-acetamido-2-[4-(trifluoromethoxy)phenyl]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[5-acetamido-2-[4-(trifluoromethoxy)phenyl]phenyl]propanoate
PubChem CID70806282
Molecular FormulaC20H20F3NO4
Molecular Weight395.38 g/mol
Exact Mass395.13
IUPAC Nameethyl 3-[5-acetamido-2-[4-(trifluoromethoxy)phenyl]phenyl]propanoate
SMILESCCOC(=O)CCc1cc(NC(C)=O)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H20F3NO4/c1-3-27-19(26)11-6-15-12-16(24-13(2)25)7-10-18(15)14-4-8-17(9-5-14)28-20(21,22)23/h4-5,7-10,12H,3,6,11H2,1-2H3,(H,24,25)
InChIKeyCGRNPLPSZGMXAJ-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[2-bromo-5-(trifluoromethoxy)phenyl]propanoate
CID 134632420
ethyl 3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanoate
CID 134632480
ethyl 3-[2-[(4-tert-butylphenyl)methoxy]-5-[4-(trifluoromethoxy)anilino]phenyl]propanoate
CID 58007904
ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 170432744
ethyl 3-[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]propanoate
CID 134632352
ethyl 3-[2,3-dioxo-6-[4-(trifluoromethoxy)phenyl]indol-1-yl]propanoate
CID 142412816
ethyl 3-[2-[(4-nitrophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]phenyl]propanoate
CID 58007971
ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999189
ethyl 2-amino-3-[2-[4-(trifluoromethoxy)phenyl]phenyl]propanoate
CID 170885673
ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate
CID 170909645
ethyl 3-[3-methoxy-5-(trifluoromethoxy)phenyl]propanoate
CID 134632610
ethyl (3S)-3-amino-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoate
CID 154815468

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-acetamido-2-[4-(trifluoromethoxy)phenyl]phenyl]propanoate?
The IUPAC name of ethyl 3-[5-acetamido-2-[4-(trifluoromethoxy)phenyl]phenyl]propanoate (CID 70806282) is ethyl 3-[5-acetamido-2-[4-(trifluoromethoxy)phenyl]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[5-acetamido-2-[4-(trifluoromethoxy)phenyl]phenyl]propanoate?
The canonical SMILES for ethyl 3-[5-acetamido-2-[4-(trifluoromethoxy)phenyl]phenyl]propanoate is CCOC(=O)CCc1cc(NC(C)=O)ccc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of ethyl 3-[5-acetamido-2-[4-(trifluoromethoxy)phenyl]phenyl]propanoate?
The InChIKey is CGRNPLPSZGMXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO4/c1-3-27-19(26)11-6-15-12-16(24-13(2)25)7-10-18(15)14-4-8-17(9-5-14)28-20(21,22)23/h4-5,7-10,12H,3,6,11H2,1-2H3,(H,24,25).
What are the key properties of ethyl 3-[5-acetamido-2-[4-(trifluoromethoxy)phenyl]phenyl]propanoate?
ethyl 3-[5-acetamido-2-[4-(trifluoromethoxy)phenyl]phenyl]propanoate has a molecular weight of 395.38 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-acetamido-2-[4-(trifluoromethoxy)phenyl]phenyl]propanoate is sourced from PubChem (CID 70806282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).