[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate

C16H20FNO3 — CID 3230480

IUPAC[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate
SMILESCC(=O)OC(C(=O)NC1CCCCC1)c1ccccc1F
InChIInChI=1S/C16H20FNO3/c1-11(19)21-15(13-9-5-6-10-14(13)17)16(20)18-12-7-3-2-4-8-12/h5-6,9-10,12,15H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyJKMMDXMNJBQCHU-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.88
Rot. Bonds4

About [2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate

[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate (PubChem CID 3230480) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is [2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate
PubChem CID3230480
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate
SMILESCC(=O)OC(C(=O)NC1CCCCC1)c1ccccc1F
InChIInChI=1S/C16H20FNO3/c1-11(19)21-15(13-9-5-6-10-14(13)17)16(20)18-12-7-3-2-4-8-12/h5-6,9-10,12,15H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyJKMMDXMNJBQCHU-UHFFFAOYSA-N
XLogP2.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate?
The IUPAC name of [2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate (CID 3230480) is [2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate?
The canonical SMILES for [2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate is CC(=O)OC(C(=O)NC1CCCCC1)c1ccccc1F.
What is the InChIKey of [2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate?
The InChIKey is JKMMDXMNJBQCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-11(19)21-15(13-9-5-6-10-14(13)17)16(20)18-12-7-3-2-4-8-12/h5-6,9-10,12,15H,2-4,7-8H2,1H3,(H,18,20).
What are the key properties of [2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate?
[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate has a molecular weight of 293.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate is sourced from PubChem (CID 3230480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).