[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

C22H23Cl2N3O5 — CID 31124240

IUPAC[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H23Cl2N3O5/c1-13(2)10-25-22(31)16-5-3-4-6-18(16)27-19(28)12-32-20(29)11-26-21(30)15-8-7-14(23)9-17(15)24/h3-9,13H,10-12H2,1-2H3,(H,25,31)(H,26,30)(H,27,28)
InChIKeyZIVBQALXEJXLAB-UHFFFAOYSA-N
MW480.35 g/mol
LogP3.29
Rot. Bonds9

About [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (PubChem CID 31124240) has the molecular formula C22H23Cl2N3O5 and a molecular weight of 480.35 g/mol. Its IUPAC name is [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
PubChem CID31124240
Molecular FormulaC22H23Cl2N3O5
Molecular Weight480.35 g/mol
Exact Mass479.10
IUPAC Name[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H23Cl2N3O5/c1-13(2)10-25-22(31)16-5-3-4-6-18(16)27-19(28)12-32-20(29)11-26-21(30)15-8-7-14(23)9-17(15)24/h3-9,13H,10-12H2,1-2H3,(H,25,31)(H,26,30)(H,27,28)
InChIKeyZIVBQALXEJXLAB-UHFFFAOYSA-N
XLogP3.29
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.35
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 16533895
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55380420
[2-oxo-2-(4-phenylanilino)ethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 35945777
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843801
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598474
2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 1331749
2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843867
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 55399586
N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 18089922
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454637
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
CID 55318028
(4-propan-2-ylphenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 22830639

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (CID 31124240) is [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The InChIKey is ZIVBQALXEJXLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O5/c1-13(2)10-25-22(31)16-5-3-4-6-18(16)27-19(28)12-32-20(29)11-26-21(30)15-8-7-14(23)9-17(15)24/h3-9,13H,10-12H2,1-2H3,(H,25,31)(H,26,30)(H,27,28).
What are the key properties of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate has a molecular weight of 480.35 g/mol, XLogP of 3.29, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 31124240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).