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

C14H15F2NO5 — CID 8613385

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OCC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C14H15F2NO5/c1-9(18)6-7-13(20)21-8-12(19)17-10-4-2-3-5-11(10)22-14(15)16/h2-5,14H,6-8H2,1H3,(H,17,19)
InChIKeySOBMZZOTIIVLDY-UHFFFAOYSA-N
MW315.27 g/mol
LogP2.14
Rot. Bonds8

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

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate (PubChem CID 8613385) has the molecular formula C14H15F2NO5 and a molecular weight of 315.27 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate
PubChem CID8613385
Molecular FormulaC14H15F2NO5
Molecular Weight315.27 g/mol
Exact Mass315.09
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OCC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C14H15F2NO5/c1-9(18)6-7-13(20)21-8-12(19)17-10-4-2-3-5-11(10)22-14(15)16/h2-5,14H,6-8H2,1H3,(H,17,19)
InChIKeySOBMZZOTIIVLDY-UHFFFAOYSA-N
XLogP2.14
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950713
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9139967
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840498
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(4-methylphenoxy)butanoate
CID 7147730
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 5196396
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510947
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-cyclohexylbutanoate
CID 55307493
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-naphthalen-1-yloxyacetate
CID 35775354
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2399542
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7902950
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833478
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855020

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate (CID 8613385) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate is CC(=O)CCC(=O)OCC(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate?
The InChIKey is SOBMZZOTIIVLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO5/c1-9(18)6-7-13(20)21-8-12(19)17-10-4-2-3-5-11(10)22-14(15)16/h2-5,14H,6-8H2,1H3,(H,17,19).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate has a molecular weight of 315.27 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate is sourced from PubChem (CID 8613385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).