[2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-(4-chlorophenyl)acetate

C22H24ClNO4 — CID 7750261

IUPAC[2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCCCCCC(=O)Nc1ccc(C(=O)COC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H24ClNO4/c1-2-3-4-5-21(26)24-19-12-8-17(9-13-19)20(25)15-28-22(27)14-16-6-10-18(23)11-7-16/h6-13H,2-5,14-15H2,1H3,(H,24,26)
InChIKeyXTKLINHBJIIMGR-UHFFFAOYSA-N
MW401.89 g/mol
LogP4.83
Rot. Bonds10

About [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-(4-chlorophenyl)acetate

[2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 7750261) has the molecular formula C22H24ClNO4 and a molecular weight of 401.89 g/mol. Its IUPAC name is [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID7750261
Molecular FormulaC22H24ClNO4
Molecular Weight401.89 g/mol
Exact Mass401.14
IUPAC Name[2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCCCCCC(=O)Nc1ccc(C(=O)COC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H24ClNO4/c1-2-3-4-5-21(26)24-19-12-8-17(9-13-19)20(25)15-28-22(27)14-16-6-10-18(23)11-7-16/h6-13H,2-5,14-15H2,1H3,(H,24,26)
InChIKeyXTKLINHBJIIMGR-UHFFFAOYSA-N
XLogP4.83
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 4-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
CID 2883144
N-(4-chlorophenyl)tridecanamide
CID 4195215
methyl 4-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7750430
heptyl 2-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]acetate
CID 155516196
[4-(4-fluoroanilino)-4-oxobutyl] 2-(4-chlorophenyl)acetate
CID 118256647
heptyl 5-(4-chloroanilino)-5-oxopentanoate
CID 91707630
butyl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 108808160
[2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 16568897
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 16556562
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878733
[2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 3-hydroxybenzoate
CID 7790011
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]heptanamide
CID 114752772

Frequently Asked Questions

What is the IUPAC name of [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 7750261) is [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-(4-chlorophenyl)acetate is CCCCCC(=O)Nc1ccc(C(=O)COC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is XTKLINHBJIIMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO4/c1-2-3-4-5-21(26)24-19-12-8-17(9-13-19)20(25)15-28-22(27)14-16-6-10-18(23)11-7-16/h6-13H,2-5,14-15H2,1H3,(H,24,26).
What are the key properties of [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 401.89 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 7750261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).