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

C22H16ClNO4 — CID 2426060

IUPAC[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C22H16ClNO4/c23-17-11-12-19(18(13-17)21(26)15-7-3-1-4-8-15)24-20(25)14-28-22(27)16-9-5-2-6-10-16/h1-13H,14H2,(H,24,25)
InChIKeyBIEKSSCPYHWZSU-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.37
Rot. Bonds6

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

[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] benzoate (PubChem CID 2426060) has the molecular formula C22H16ClNO4 and a molecular weight of 393.83 g/mol. Its IUPAC name is [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] benzoate
PubChem CID2426060
Molecular FormulaC22H16ClNO4
Molecular Weight393.83 g/mol
Exact Mass393.08
IUPAC Name[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C22H16ClNO4/c23-17-11-12-19(18(13-17)21(26)15-7-3-1-4-8-15)24-20(25)14-28-22(27)16-9-5-2-6-10-16/h1-13H,14H2,(H,24,25)
InChIKeyBIEKSSCPYHWZSU-UHFFFAOYSA-N
XLogP4.37
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3-chlorophenyl)-2-oxo-2-((1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino)ethyl acetate
CID 46937155
2-Acetamido-5-chlorobenzoic Acid Methyl Ester
CID 4640571
2-(2-Chlorophenyl)-2-oxoethyl 3-(acetylamino)benzoate
CID 902717
2-Oxo-2-phenylethyl 2-anilinobenzoate
CID 607001
TM5275free
CID 25174437
5-Chloro-2-[((2-[ethyl(4'-fluoro-4-methylbiphenyl-3-yl)amino]-2-oxoethoxy)acetyl)amino]benzoic acid
CID 44251015
2-[[2-[2-[5-(4-Acetamidophenyl)-2-methylanilino]-2-oxoethoxy]acetyl]amino]-5-chlorobenzoic acid
CID 44251375
Methyl N-(3-chlorobenzoyl)anthranilate
CID 306211
tm5275 sodium salt
CID 53240409
2-(2-Chlorophenyl)-2-oxoethyl 3-(propionylamino)benzoate
CID 887620
N-(2-benzoyl-4-chlorophenyl)-2-phenoxyacetamide
CID 1019206
N-(2-Benzoyl-4-chloro-phenyl)-2-p-tolyloxy-acetamide
CID 1019207

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] benzoate?
The IUPAC name of [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] benzoate (CID 2426060) is [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] benzoate is O=C(COC(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] benzoate?
The InChIKey is BIEKSSCPYHWZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO4/c23-17-11-12-19(18(13-17)21(26)15-7-3-1-4-8-15)24-20(25)14-28-22(27)16-9-5-2-6-10-16/h1-13H,14H2,(H,24,25).
What are the key properties of [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] benzoate?
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] benzoate has a molecular weight of 393.83 g/mol, XLogP of 4.37, 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] benzoate is sourced from PubChem (CID 2426060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).