[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(2-phenylacetyl)amino]acetate

C19H17F3N2O5 — CID 8523964

IUPAC[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(2-phenylacetyl)amino]acetate
SMILESO=C(Cc1ccccc1)NCC(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O5/c20-19(21,22)29-15-8-6-14(7-9-15)24-17(26)12-28-18(27)11-23-16(25)10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,23,25)(H,24,26)
InChIKeyBWZNGIAMVMQMSF-UHFFFAOYSA-N
MW410.35 g/mol
LogP2.43
Rot. Bonds8

About [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(2-phenylacetyl)amino]acetate

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(2-phenylacetyl)amino]acetate (PubChem CID 8523964) has the molecular formula C19H17F3N2O5 and a molecular weight of 410.35 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(2-phenylacetyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(2-phenylacetyl)amino]acetate
PubChem CID8523964
Molecular FormulaC19H17F3N2O5
Molecular Weight410.35 g/mol
Exact Mass410.11
IUPAC Name[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(2-phenylacetyl)amino]acetate
SMILESO=C(Cc1ccccc1)NCC(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O5/c20-19(21,22)29-15-8-6-14(7-9-15)24-17(26)12-28-18(27)11-23-16(25)10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,23,25)(H,24,26)
InChIKeyBWZNGIAMVMQMSF-UHFFFAOYSA-N
XLogP2.43
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(2-phenylacetyl)amino]acetate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(2-phenylacetyl)amino]acetate (CID 8523964) is [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(2-phenylacetyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(2-phenylacetyl)amino]acetate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(2-phenylacetyl)amino]acetate is O=C(Cc1ccccc1)NCC(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(2-phenylacetyl)amino]acetate?
The InChIKey is BWZNGIAMVMQMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O5/c20-19(21,22)29-15-8-6-14(7-9-15)24-17(26)12-28-18(27)11-23-16(25)10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,23,25)(H,24,26).
What are the key properties of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(2-phenylacetyl)amino]acetate?
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(2-phenylacetyl)amino]acetate has a molecular weight of 410.35 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(2-phenylacetyl)amino]acetate is sourced from PubChem (CID 8523964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).