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

C17H21F2NO4 — CID 35776405

IUPAC[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-cyclohexylacetate
SMILESO=C(COC(=O)CC1CCCCC1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H21F2NO4/c18-17(19)24-14-8-6-13(7-9-14)20-15(21)11-23-16(22)10-12-4-2-1-3-5-12/h6-9,12,17H,1-5,10-11H2,(H,20,21)
InChIKeyZTZXGBRBVZNORO-UHFFFAOYSA-N
MW341.35 g/mol
LogP3.74
Rot. Bonds7

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

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-cyclohexylacetate (PubChem CID 35776405) has the molecular formula C17H21F2NO4 and a molecular weight of 341.35 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-cyclohexylacetate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-cyclohexylacetate
PubChem CID35776405
Molecular FormulaC17H21F2NO4
Molecular Weight341.35 g/mol
Exact Mass341.14
IUPAC Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-cyclohexylacetate
SMILESO=C(COC(=O)CC1CCCCC1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H21F2NO4/c18-17(19)24-14-8-6-13(7-9-14)20-15(21)11-23-16(22)10-12-4-2-1-3-5-12/h6-9,12,17H,1-5,10-11H2,(H,20,21)
InChIKeyZTZXGBRBVZNORO-UHFFFAOYSA-N
XLogP3.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7906670
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 7041388
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-cyclopentylacetate
CID 2343770
[2-(4-butan-2-ylanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 3397154
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 2506763
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 2677187
[2-(4-bromoanilino)-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate
CID 33349708
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2387543
[2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 7722315
1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea
CID 47196832
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598019
2-cyclopentyl-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 134029016

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-cyclohexylacetate?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-cyclohexylacetate (CID 35776405) is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-cyclohexylacetate.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-cyclohexylacetate?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-cyclohexylacetate is O=C(COC(=O)CC1CCCCC1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-cyclohexylacetate?
The InChIKey is ZTZXGBRBVZNORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2NO4/c18-17(19)24-14-8-6-13(7-9-14)20-15(21)11-23-16(22)10-12-4-2-1-3-5-12/h6-9,12,17H,1-5,10-11H2,(H,20,21).
What are the key properties of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-cyclohexylacetate?
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-cyclohexylacetate has a molecular weight of 341.35 g/mol, XLogP of 3.74, 7 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] 2-cyclohexylacetate is sourced from PubChem (CID 35776405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).