[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate

C13H14Cl2N2O4 — CID 9203065

IUPAC[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate
SMILESCN(C)C(=O)CNC(=O)COC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H14Cl2N2O4/c1-17(2)12(19)6-16-11(18)7-21-13(20)9-5-8(14)3-4-10(9)15/h3-5H,6-7H2,1-2H3,(H,16,18)
InChIKeySXWJDYPRSNKDKR-UHFFFAOYSA-N
MW333.17 g/mol
LogP1.35
Rot. Bonds5

About [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate

[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate (PubChem CID 9203065) has the molecular formula C13H14Cl2N2O4 and a molecular weight of 333.17 g/mol. Its IUPAC name is [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate.

Molecular Properties

Compound Name[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate
PubChem CID9203065
Molecular FormulaC13H14Cl2N2O4
Molecular Weight333.17 g/mol
Exact Mass332.03
IUPAC Name[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate
SMILESCN(C)C(=O)CNC(=O)COC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H14Cl2N2O4/c1-17(2)12(19)6-16-11(18)7-21-13(20)9-5-8(14)3-4-10(9)15/h3-5H,6-7H2,1-2H3,(H,16,18)
InChIKeySXWJDYPRSNKDKR-UHFFFAOYSA-N
XLogP1.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807752
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 8987555
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 8806757
ethyl 2-[[2-(2,5-dichlorobenzoyl)oxyacetyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 3310311
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate
CID 7723030
2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9013268
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 7722923
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228996
[2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 7722951
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018443
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate
CID 8567838
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2487559

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate?
The IUPAC name of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate (CID 9203065) is [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate.
What is the SMILES notation for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate?
The canonical SMILES for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate is CN(C)C(=O)CNC(=O)COC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate?
The InChIKey is SXWJDYPRSNKDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O4/c1-17(2)12(19)6-16-11(18)7-21-13(20)9-5-8(14)3-4-10(9)15/h3-5H,6-7H2,1-2H3,(H,16,18).
What are the key properties of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate?
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate has a molecular weight of 333.17 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate is sourced from PubChem (CID 9203065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).