[2-oxo-2-(2-phenylanilino)ethyl] 2-(4-chlorophenyl)acetate

C22H18ClNO3 — CID 2446818

IUPAC[2-oxo-2-(2-phenylanilino)ethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H18ClNO3/c23-18-12-10-16(11-13-18)14-22(26)27-15-21(25)24-20-9-5-4-8-19(20)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,25)
InChIKeyJJLNRHRKOARNNF-UHFFFAOYSA-N
MW379.84 g/mol
LogP4.73
Rot. Bonds6

About [2-oxo-2-(2-phenylanilino)ethyl] 2-(4-chlorophenyl)acetate

[2-oxo-2-(2-phenylanilino)ethyl] 2-(4-chlorophenyl)acetate (PubChem CID 2446818) has the molecular formula C22H18ClNO3 and a molecular weight of 379.84 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylanilino)ethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylanilino)ethyl] 2-(4-chlorophenyl)acetate
PubChem CID2446818
Molecular FormulaC22H18ClNO3
Molecular Weight379.84 g/mol
Exact Mass379.10
IUPAC Name[2-oxo-2-(2-phenylanilino)ethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H18ClNO3/c23-18-12-10-16(11-13-18)14-22(26)27-15-21(25)24-20-9-5-4-8-19(20)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,25)
InChIKeyJJLNRHRKOARNNF-UHFFFAOYSA-N
XLogP4.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-Chloro-2-oxo-3-phenyl-1,2-dihydro-quinolin-4-yl)-propionic acid methyl ester
CID 10497454
[2-(2-Methylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 1690080
[2-Oxo-2-(4-phenylphenyl)ethyl] 4-(3-chloroanilino)-4-oxobutanoate
CID 1738267
[2-(4-Methylanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2335004
[2-(5-Chloro-2-methylanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2335922
[2-(4-Ethylanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2356404
[2-(2,6-Difluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2359467
[2-(4-Acetamidoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2375779
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2384771
[2-(2,6-Dichloroanilino)-2-oxoethyl] 2-phenylbutanoate
CID 3484353
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 3490958
2-Phenylbutanoic acid [2-oxo-2-(2-phenylanilino)ethyl] ester
CID 4014963

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 2-(4-chlorophenyl)acetate (CID 2446818) is [2-oxo-2-(2-phenylanilino)ethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(2-phenylanilino)ethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-oxo-2-(2-phenylanilino)ethyl] 2-(4-chlorophenyl)acetate is O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylanilino)ethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is JJLNRHRKOARNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO3/c23-18-12-10-16(11-13-18)14-22(26)27-15-21(25)24-20-9-5-4-8-19(20)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,25).
What are the key properties of [2-oxo-2-(2-phenylanilino)ethyl] 2-(4-chlorophenyl)acetate?
[2-oxo-2-(2-phenylanilino)ethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 379.84 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylanilino)ethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 2446818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).