phenacyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate

C18H15F2NO5 — CID 2358795

IUPACphenacyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
SMILESO=C(CNC(=O)c1cccc(OC(F)F)c1)OCC(=O)c1ccccc1
InChIInChI=1S/C18H15F2NO5/c19-18(20)26-14-8-4-7-13(9-14)17(24)21-10-16(23)25-11-15(22)12-5-2-1-3-6-12/h1-9,18H,10-11H2,(H,21,24)
InChIKeyQCVBZFXHHLKSRC-UHFFFAOYSA-N
MW363.32 g/mol
LogP2.44
Rot. Bonds8

About phenacyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate

phenacyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate (PubChem CID 2358795) has the molecular formula C18H15F2NO5 and a molecular weight of 363.32 g/mol. Its IUPAC name is phenacyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate.

Molecular Properties

Compound Namephenacyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
PubChem CID2358795
Molecular FormulaC18H15F2NO5
Molecular Weight363.32 g/mol
Exact Mass363.09
IUPAC Namephenacyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
SMILESO=C(CNC(=O)c1cccc(OC(F)F)c1)OCC(=O)c1ccccc1
InChIInChI=1S/C18H15F2NO5/c19-18(20)26-14-8-4-7-13(9-14)17(24)21-10-16(23)25-11-15(22)12-5-2-1-3-6-12/h1-9,18H,10-11H2,(H,21,24)
InChIKeyQCVBZFXHHLKSRC-UHFFFAOYSA-N
XLogP2.44
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenacyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate?
The IUPAC name of phenacyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate (CID 2358795) is phenacyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate.
What is the SMILES notation for phenacyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate?
The canonical SMILES for phenacyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate is O=C(CNC(=O)c1cccc(OC(F)F)c1)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate?
The InChIKey is QCVBZFXHHLKSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO5/c19-18(20)26-14-8-4-7-13(9-14)17(24)21-10-16(23)25-11-15(22)12-5-2-1-3-6-12/h1-9,18H,10-11H2,(H,21,24).
What are the key properties of phenacyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate?
phenacyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate has a molecular weight of 363.32 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate is sourced from PubChem (CID 2358795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).