[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-phenylpropanoate

C18H17F2NO4 — CID 2397783

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-phenylpropanoate
SMILESO=C(COC(=O)CCc1ccccc1)Nc1ccccc1OC(F)F
InChIInChI=1S/C18H17F2NO4/c19-18(20)25-15-9-5-4-8-14(15)21-16(22)12-24-17(23)11-10-13-6-2-1-3-7-13/h1-9,18H,10-12H2,(H,21,22)
InChIKeyULXNZIRSEPWICY-UHFFFAOYSA-N
MW349.33 g/mol
LogP3.40
Rot. Bonds8

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-phenylpropanoate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-phenylpropanoate (PubChem CID 2397783) has the molecular formula C18H17F2NO4 and a molecular weight of 349.33 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-phenylpropanoate
PubChem CID2397783
Molecular FormulaC18H17F2NO4
Molecular Weight349.33 g/mol
Exact Mass349.11
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-phenylpropanoate
SMILESO=C(COC(=O)CCc1ccccc1)Nc1ccccc1OC(F)F
InChIInChI=1S/C18H17F2NO4/c19-18(20)25-15-9-5-4-8-14(15)21-16(22)12-24-17(23)11-10-13-6-2-1-3-7-13/h1-9,18H,10-12H2,(H,21,22)
InChIKeyULXNZIRSEPWICY-UHFFFAOYSA-N
XLogP3.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-phenylpropanoate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-phenylpropanoate (CID 2397783) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-phenylpropanoate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-phenylpropanoate is O=C(COC(=O)CCc1ccccc1)Nc1ccccc1OC(F)F.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-phenylpropanoate?
The InChIKey is ULXNZIRSEPWICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO4/c19-18(20)25-15-9-5-4-8-14(15)21-16(22)12-24-17(23)11-10-13-6-2-1-3-7-13/h1-9,18H,10-12H2,(H,21,22).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-phenylpropanoate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-phenylpropanoate has a molecular weight of 349.33 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-phenylpropanoate is sourced from PubChem (CID 2397783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).