[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-methoxybenzoate

C17H15F2NO5 — CID 2387668

IUPAC[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H15F2NO5/c1-23-14-5-3-2-4-13(14)16(22)24-10-15(21)20-11-6-8-12(9-7-11)25-17(18)19/h2-9,17H,10H2,1H3,(H,20,21)
InChIKeyYZIQXXMFXXAEKO-UHFFFAOYSA-N
MW351.31 g/mol
LogP3.09
Rot. Bonds7

About [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-methoxybenzoate

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-methoxybenzoate (PubChem CID 2387668) has the molecular formula C17H15F2NO5 and a molecular weight of 351.31 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-methoxybenzoate
PubChem CID2387668
Molecular FormulaC17H15F2NO5
Molecular Weight351.31 g/mol
Exact Mass351.09
IUPAC Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H15F2NO5/c1-23-14-5-3-2-4-13(14)16(22)24-10-15(21)20-11-6-8-12(9-7-11)25-17(18)19/h2-9,17H,10H2,1H3,(H,20,21)
InChIKeyYZIQXXMFXXAEKO-UHFFFAOYSA-N
XLogP3.09
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-methoxybenzoate?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-methoxybenzoate (CID 2387668) is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-methoxybenzoate.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-methoxybenzoate?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-methoxybenzoate is COc1ccccc1C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-methoxybenzoate?
The InChIKey is YZIQXXMFXXAEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO5/c1-23-14-5-3-2-4-13(14)16(22)24-10-15(21)20-11-6-8-12(9-7-11)25-17(18)19/h2-9,17H,10H2,1H3,(H,20,21).
What are the key properties of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-methoxybenzoate?
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-methoxybenzoate has a molecular weight of 351.31 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-methoxybenzoate is sourced from PubChem (CID 2387668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).