[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclohexylpropanoate

C18H23F2NO4 — CID 2409686

IUPAC[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclohexylpropanoate
SMILESO=C(COC(=O)CCC1CCCCC1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H23F2NO4/c19-18(20)25-15-9-7-14(8-10-15)21-16(22)12-24-17(23)11-6-13-4-2-1-3-5-13/h7-10,13,18H,1-6,11-12H2,(H,21,22)
InChIKeyVFZNGROHUPSSHR-UHFFFAOYSA-N
MW355.38 g/mol
LogP4.13
Rot. Bonds8

About [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclohexylpropanoate

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclohexylpropanoate (PubChem CID 2409686) has the molecular formula C18H23F2NO4 and a molecular weight of 355.38 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclohexylpropanoate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclohexylpropanoate
PubChem CID2409686
Molecular FormulaC18H23F2NO4
Molecular Weight355.38 g/mol
Exact Mass355.16
IUPAC Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclohexylpropanoate
SMILESO=C(COC(=O)CCC1CCCCC1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H23F2NO4/c19-18(20)25-15-9-7-14(8-10-15)21-16(22)12-24-17(23)11-6-13-4-2-1-3-5-13/h7-10,13,18H,1-6,11-12H2,(H,21,22)
InChIKeyVFZNGROHUPSSHR-UHFFFAOYSA-N
XLogP4.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclohexylpropanoate?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclohexylpropanoate (CID 2409686) is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclohexylpropanoate.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclohexylpropanoate?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclohexylpropanoate is O=C(COC(=O)CCC1CCCCC1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclohexylpropanoate?
The InChIKey is VFZNGROHUPSSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2NO4/c19-18(20)25-15-9-7-14(8-10-15)21-16(22)12-24-17(23)11-6-13-4-2-1-3-5-13/h7-10,13,18H,1-6,11-12H2,(H,21,22).
What are the key properties of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclohexylpropanoate?
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclohexylpropanoate has a molecular weight of 355.38 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclohexylpropanoate is sourced from PubChem (CID 2409686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).