[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclohexanecarboxylate

C16H19F2NO4 — CID 2363104

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclohexanecarboxylate
SMILESO=C(COC(=O)C1CCCCC1)Nc1ccccc1OC(F)F
InChIInChI=1S/C16H19F2NO4/c17-16(18)23-13-9-5-4-8-12(13)19-14(20)10-22-15(21)11-6-2-1-3-7-11/h4-5,8-9,11,16H,1-3,6-7,10H2,(H,19,20)
InChIKeyDKJBQTQOPDHCFZ-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.35
Rot. Bonds6

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclohexanecarboxylate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclohexanecarboxylate (PubChem CID 2363104) has the molecular formula C16H19F2NO4 and a molecular weight of 327.33 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclohexanecarboxylate
PubChem CID2363104
Molecular FormulaC16H19F2NO4
Molecular Weight327.33 g/mol
Exact Mass327.13
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclohexanecarboxylate
SMILESO=C(COC(=O)C1CCCCC1)Nc1ccccc1OC(F)F
InChIInChI=1S/C16H19F2NO4/c17-16(18)23-13-9-5-4-8-12(13)19-14(20)10-22-15(21)11-6-2-1-3-7-11/h4-5,8-9,11,16H,1-3,6-7,10H2,(H,19,20)
InChIKeyDKJBQTQOPDHCFZ-UHFFFAOYSA-N
XLogP3.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclohexanecarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclohexanecarboxylate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclohexanecarboxylate (CID 2363104) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclohexanecarboxylate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclohexanecarboxylate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclohexanecarboxylate is O=C(COC(=O)C1CCCCC1)Nc1ccccc1OC(F)F.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclohexanecarboxylate?
The InChIKey is DKJBQTQOPDHCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO4/c17-16(18)23-13-9-5-4-8-12(13)19-14(20)10-22-15(21)11-6-2-1-3-7-11/h4-5,8-9,11,16H,1-3,6-7,10H2,(H,19,20).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclohexanecarboxylate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclohexanecarboxylate has a molecular weight of 327.33 g/mol, XLogP of 3.35, 6 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] cyclohexanecarboxylate is sourced from PubChem (CID 2363104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).