[2-(ethoxycarbonylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate

C12H12Cl2N2O5 — CID 2620423

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
SMILESCCOC(=O)NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C12H12Cl2N2O5/c1-2-20-12(19)16-9(17)5-21-11(18)7-3-6(13)4-8(14)10(7)15/h3-4H,2,5,15H2,1H3,(H,16,17,19)
InChIKeyIQTFMOQHJMUXHK-UHFFFAOYSA-N
MW335.14 g/mol
LogP2.01
Rot. Bonds4

About [2-(ethoxycarbonylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate

[2-(ethoxycarbonylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate (PubChem CID 2620423) has the molecular formula C12H12Cl2N2O5 and a molecular weight of 335.14 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
PubChem CID2620423
Molecular FormulaC12H12Cl2N2O5
Molecular Weight335.14 g/mol
Exact Mass334.01
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
SMILESCCOC(=O)NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C12H12Cl2N2O5/c1-2-20-12(19)16-9(17)5-21-11(18)7-3-6(13)4-8(14)10(7)15/h3-4H,2,5,15H2,1H3,(H,16,17,19)
InChIKeyIQTFMOQHJMUXHK-UHFFFAOYSA-N
XLogP2.01
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-3,5-dichlorobenzoate
CID 15087809
[2-(butylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2620389
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-amino-3,5-dichlorobenzoate
CID 16539444
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 7864829
[2-(ethoxycarbonylamino)-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 2590130
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2634309
[2-(4-acetylanilino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2620514
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510081
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2620409
ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate
CID 2628002
[2-(ethoxycarbonylamino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 8021617
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 7864776

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate (CID 2620423) is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate is CCOC(=O)NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
The InChIKey is IQTFMOQHJMUXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O5/c1-2-20-12(19)16-9(17)5-21-11(18)7-3-6(13)4-8(14)10(7)15/h3-4H,2,5,15H2,1H3,(H,16,17,19).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate has a molecular weight of 335.14 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate is sourced from PubChem (CID 2620423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).