[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate

C21H21Cl2NO4 — CID 22831050

IUPAC[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESCc1cc(C(=O)COC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c(C)c(C)c1C
InChIInChI=1S/C21H21Cl2NO4/c1-11-7-16(14(4)13(3)12(11)2)19(25)10-28-20(26)9-24-21(27)15-5-6-17(22)18(23)8-15/h5-8H,9-10H2,1-4H3,(H,24,27)
InChIKeyKVEYLSUTRXJBAF-UHFFFAOYSA-N
MW422.31 g/mol
LogP4.38
Rot. Bonds6

About [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate

[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate (PubChem CID 22831050) has the molecular formula C21H21Cl2NO4 and a molecular weight of 422.31 g/mol. Its IUPAC name is [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
PubChem CID22831050
Molecular FormulaC21H21Cl2NO4
Molecular Weight422.31 g/mol
Exact Mass421.08
IUPAC Name[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESCc1cc(C(=O)COC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c(C)c(C)c1C
InChIInChI=1S/C21H21Cl2NO4/c1-11-7-16(14(4)13(3)12(11)2)19(25)10-28-20(26)9-24-21(27)15-5-6-17(22)18(23)8-15/h5-8H,9-10H2,1-4H3,(H,24,27)
InChIKeyKVEYLSUTRXJBAF-UHFFFAOYSA-N
XLogP4.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate with MolForge

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Related Compounds

ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 24657372
[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880742
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
CID 42007014
2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880664
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate
CID 27011600
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2,6-dichlorobenzoate
CID 18268152
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7967540
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 2394384
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-hydroxybenzoate
CID 7776976
[(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880684
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate
CID 2625404

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate (CID 22831050) is [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate is Cc1cc(C(=O)COC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c(C)c(C)c1C.
What is the InChIKey of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The InChIKey is KVEYLSUTRXJBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2NO4/c1-11-7-16(14(4)13(3)12(11)2)19(25)10-28-20(26)9-24-21(27)15-5-6-17(22)18(23)8-15/h5-8H,9-10H2,1-4H3,(H,24,27).
What are the key properties of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate has a molecular weight of 422.31 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 22831050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).