[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate

C19H18ClNO4 — CID 7782592

IUPAC[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate
SMILESCC(C)C(=O)OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H18ClNO4/c1-12(2)19(24)25-11-17(22)21-16-9-8-14(20)10-15(16)18(23)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyZNJRAHXQQSHANH-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.71
Rot. Bonds6

About [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate

[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate (PubChem CID 7782592) has the molecular formula C19H18ClNO4 and a molecular weight of 359.81 g/mol. Its IUPAC name is [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate
PubChem CID7782592
Molecular FormulaC19H18ClNO4
Molecular Weight359.81 g/mol
Exact Mass359.09
IUPAC Name[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate
SMILESCC(C)C(=O)OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H18ClNO4/c1-12(2)19(24)25-11-17(22)21-16-9-8-14(20)10-15(16)18(23)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyZNJRAHXQQSHANH-UHFFFAOYSA-N
XLogP3.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate
CID 2436111
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]propanoate
CID 4260264
trans-[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8020642
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782622
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 3544695
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782627
N-(2-benzoyl-4-chlorophenyl)-2-(4-phenylphenoxy)acetamide
CID 19169901
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 1019246
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (2R)-3-phenyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)propanoate
CID 99656331
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium
CID 5113102
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate
CID 33321158

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate?
The IUPAC name of [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate (CID 7782592) is [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate.
What is the SMILES notation for [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate?
The canonical SMILES for [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate is CC(C)C(=O)OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate?
The InChIKey is ZNJRAHXQQSHANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO4/c1-12(2)19(24)25-11-17(22)21-16-9-8-14(20)10-15(16)18(23)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,21,22).
What are the key properties of [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate?
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate has a molecular weight of 359.81 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate is sourced from PubChem (CID 7782592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).