[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,3-dichlorobenzoate

C12H12Cl2N2O4 — CID 9202999

IUPAC[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,3-dichlorobenzoate
SMILESCNC(=O)CNC(=O)COC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H12Cl2N2O4/c1-15-9(17)5-16-10(18)6-20-12(19)7-3-2-4-8(13)11(7)14/h2-4H,5-6H2,1H3,(H,15,17)(H,16,18)
InChIKeyDNFAOIDDCUXXDO-UHFFFAOYSA-N
MW319.14 g/mol
LogP1.01
Rot. Bonds5

About [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,3-dichlorobenzoate

[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,3-dichlorobenzoate (PubChem CID 9202999) has the molecular formula C12H12Cl2N2O4 and a molecular weight of 319.14 g/mol. Its IUPAC name is [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,3-dichlorobenzoate.

Molecular Properties

Compound Name[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,3-dichlorobenzoate
PubChem CID9202999
Molecular FormulaC12H12Cl2N2O4
Molecular Weight319.14 g/mol
Exact Mass318.02
IUPAC Name[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,3-dichlorobenzoate
SMILESCNC(=O)CNC(=O)COC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H12Cl2N2O4/c1-15-9(17)5-16-10(18)6-20-12(19)7-3-2-4-8(13)11(7)14/h2-4H,5-6H2,1H3,(H,15,17)(H,16,18)
InChIKeyDNFAOIDDCUXXDO-UHFFFAOYSA-N
XLogP1.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,3-dichlorobenzoate with MolForge

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Related Compounds

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,3-dichlorobenzoate
CID 2446620
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 2645595
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate
CID 2487334
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate
CID 2487293
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 9344004
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 7722764
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3,5-dichlorobenzoate
CID 9203178
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 2617414
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2,3-dichlorobenzoate
CID 2487426
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 18128883
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate
CID 2624351
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 9336891

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,3-dichlorobenzoate?
The IUPAC name of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,3-dichlorobenzoate (CID 9202999) is [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,3-dichlorobenzoate.
What is the SMILES notation for [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,3-dichlorobenzoate?
The canonical SMILES for [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,3-dichlorobenzoate is CNC(=O)CNC(=O)COC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,3-dichlorobenzoate?
The InChIKey is DNFAOIDDCUXXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O4/c1-15-9(17)5-16-10(18)6-20-12(19)7-3-2-4-8(13)11(7)14/h2-4H,5-6H2,1H3,(H,15,17)(H,16,18).
What are the key properties of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,3-dichlorobenzoate?
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,3-dichlorobenzoate has a molecular weight of 319.14 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,3-dichlorobenzoate is sourced from PubChem (CID 9202999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).