(2-anilino-2-oxoethyl) 2-(4-chlorobenzoyl)benzoate

C22H16ClNO4 — CID 2335267

IUPAC(2-anilino-2-oxoethyl) 2-(4-chlorobenzoyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)Nc1ccccc1
InChIInChI=1S/C22H16ClNO4/c23-16-12-10-15(11-13-16)21(26)18-8-4-5-9-19(18)22(27)28-14-20(25)24-17-6-2-1-3-7-17/h1-13H,14H2,(H,24,25)
InChIKeyZETBOUSTTZXVAL-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.37
Rot. Bonds6

About (2-anilino-2-oxoethyl) 2-(4-chlorobenzoyl)benzoate

(2-anilino-2-oxoethyl) 2-(4-chlorobenzoyl)benzoate (PubChem CID 2335267) has the molecular formula C22H16ClNO4 and a molecular weight of 393.83 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-(4-chlorobenzoyl)benzoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-(4-chlorobenzoyl)benzoate
PubChem CID2335267
Molecular FormulaC22H16ClNO4
Molecular Weight393.83 g/mol
Exact Mass393.08
IUPAC Name(2-anilino-2-oxoethyl) 2-(4-chlorobenzoyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)Nc1ccccc1
InChIInChI=1S/C22H16ClNO4/c23-16-12-10-15(11-13-16)21(26)18-8-4-5-9-19(18)22(27)28-14-20(25)24-17-6-2-1-3-7-17/h1-13H,14H2,(H,24,25)
InChIKeyZETBOUSTTZXVAL-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

2-(2-Chlorophenyl)-2-oxoethyl 3-(acetylamino)benzoate
CID 902717
2-(4-Methylphenyl)-2-oxoethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate
CID 1216566
2-(2-Chlorophenyl)-2-oxoethyl 3-(propionylamino)benzoate
CID 887620
4-[4-[2-(4-Chlorophenyl)-2-oxoethoxy]carbonylanilino]-4-oxobutanoic acid
CID 1218836
2-Oxo-2-phenylethyl 4-(3-chloroanilino)-4-oxobutanoate
CID 1726610
Propyl 4-chloro-3-[(4-phenylbenzoyl)amino]benzoate
CID 1732058
[2-Oxo-2-(4-phenylphenyl)ethyl] 4-(3-chloroanilino)-4-oxobutanoate
CID 1738267
[2-(3-Cyanoanilino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate
CID 2350847
[2-(2,6-Dichloro-3-methylanilino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate
CID 2405965
[2-(4-Acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621873
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 2945961
2-Oxo-1,2-diphenylethyl 4-anilino-4-oxobutanoate
CID 3301428

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-(4-chlorobenzoyl)benzoate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-(4-chlorobenzoyl)benzoate (CID 2335267) is (2-anilino-2-oxoethyl) 2-(4-chlorobenzoyl)benzoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-(4-chlorobenzoyl)benzoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-(4-chlorobenzoyl)benzoate is O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-(4-chlorobenzoyl)benzoate?
The InChIKey is ZETBOUSTTZXVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO4/c23-16-12-10-15(11-13-16)21(26)18-8-4-5-9-19(18)22(27)28-14-20(25)24-17-6-2-1-3-7-17/h1-13H,14H2,(H,24,25).
What are the key properties of (2-anilino-2-oxoethyl) 2-(4-chlorobenzoyl)benzoate?
(2-anilino-2-oxoethyl) 2-(4-chlorobenzoyl)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-anilino-2-oxoethyl) 2-(4-chlorobenzoyl)benzoate is sourced from PubChem (CID 2335267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).