[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate

C17H22FNO3 — CID 24979310

IUPAC[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate
SMILESCC(OC(=O)CC1CCCCC1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H22FNO3/c1-12(17(21)19-15-9-7-14(18)8-10-15)22-16(20)11-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3,(H,19,21)
InChIKeyRIMALHFZXDOGFM-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.67
Rot. Bonds5

About [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate

[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate (PubChem CID 24979310) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate.

Molecular Properties

Compound Name[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate
PubChem CID24979310
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate
SMILESCC(OC(=O)CC1CCCCC1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H22FNO3/c1-12(17(21)19-15-9-7-14(18)8-10-15)22-16(20)11-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3,(H,19,21)
InChIKeyRIMALHFZXDOGFM-UHFFFAOYSA-N
XLogP3.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate?
The IUPAC name of [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate (CID 24979310) is [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate.
What is the SMILES notation for [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate?
The canonical SMILES for [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate is CC(OC(=O)CC1CCCCC1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate?
The InChIKey is RIMALHFZXDOGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-12(17(21)19-15-9-7-14(18)8-10-15)22-16(20)11-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3,(H,19,21).
What are the key properties of [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate?
[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate has a molecular weight of 307.36 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate is sourced from PubChem (CID 24979310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).