[2-(4-chloro-N-cyclohexylanilino)-2-oxoethyl] acetate

C16H20ClNO3 — CID 21157145

IUPAC[2-(4-chloro-N-cyclohexylanilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N(c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C16H20ClNO3/c1-12(19)21-11-16(20)18(14-5-3-2-4-6-14)15-9-7-13(17)8-10-15/h7-10,14H,2-6,11H2,1H3
InChIKeyHIASYKQVPNENES-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.57
Rot. Bonds4

About [2-(4-chloro-N-cyclohexylanilino)-2-oxoethyl] acetate

[2-(4-chloro-N-cyclohexylanilino)-2-oxoethyl] acetate (PubChem CID 21157145) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is [2-(4-chloro-N-cyclohexylanilino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(4-chloro-N-cyclohexylanilino)-2-oxoethyl] acetate
PubChem CID21157145
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name[2-(4-chloro-N-cyclohexylanilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N(c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C16H20ClNO3/c1-12(19)21-11-16(20)18(14-5-3-2-4-6-14)15-9-7-13(17)8-10-15/h7-10,14H,2-6,11H2,1H3
InChIKeyHIASYKQVPNENES-UHFFFAOYSA-N
XLogP3.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-1-cyclohexylurea
CID 68800466
[2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate
CID 134104348
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)-N-cyclopropylacetamide
CID 113095100
[2-(N-cyclohexylanilino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 7873389
N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide
CID 102017753
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate
CID 7695229
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
N-(4-chlorophenyl)-N-piperidin-4-ylbutanamide
CID 174614348
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7902946
[2-(N-cyclohexylanilino)-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 7187028
N-cyclohexyl-N-(4-methoxyphenyl)acetamide
CID 138348366
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 16520659

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-N-cyclohexylanilino)-2-oxoethyl] acetate?
The IUPAC name of [2-(4-chloro-N-cyclohexylanilino)-2-oxoethyl] acetate (CID 21157145) is [2-(4-chloro-N-cyclohexylanilino)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(4-chloro-N-cyclohexylanilino)-2-oxoethyl] acetate?
The canonical SMILES for [2-(4-chloro-N-cyclohexylanilino)-2-oxoethyl] acetate is CC(=O)OCC(=O)N(c1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of [2-(4-chloro-N-cyclohexylanilino)-2-oxoethyl] acetate?
The InChIKey is HIASYKQVPNENES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-12(19)21-11-16(20)18(14-5-3-2-4-6-14)15-9-7-13(17)8-10-15/h7-10,14H,2-6,11H2,1H3.
What are the key properties of [2-(4-chloro-N-cyclohexylanilino)-2-oxoethyl] acetate?
[2-(4-chloro-N-cyclohexylanilino)-2-oxoethyl] acetate has a molecular weight of 309.79 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-N-cyclohexylanilino)-2-oxoethyl] acetate is sourced from PubChem (CID 21157145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).