2-(2,5-dichloro-3,4-dihydroxyphenyl)-N-ethyl-2-oxoacetamide

C10H9Cl2NO4 — CID 118461197

IUPAC2-(2,5-dichloro-3,4-dihydroxyphenyl)-N-ethyl-2-oxoacetamide
SMILESCCNC(=O)C(=O)c1cc(Cl)c(O)c(O)c1Cl
InChIInChI=1S/C10H9Cl2NO4/c1-2-13-10(17)7(14)4-3-5(11)8(15)9(16)6(4)12/h3,15-16H,2H2,1H3,(H,13,17)
InChIKeyJWQYVECXABPNNR-UHFFFAOYSA-N
MW278.09 g/mol
LogP1.72
Rot. Bonds3

About 2-(2,5-dichloro-3,4-dihydroxyphenyl)-N-ethyl-2-oxoacetamide

2-(2,5-dichloro-3,4-dihydroxyphenyl)-N-ethyl-2-oxoacetamide (PubChem CID 118461197) has the molecular formula C10H9Cl2NO4 and a molecular weight of 278.09 g/mol. Its IUPAC name is 2-(2,5-dichloro-3,4-dihydroxyphenyl)-N-ethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(2,5-dichloro-3,4-dihydroxyphenyl)-N-ethyl-2-oxoacetamide
PubChem CID118461197
Molecular FormulaC10H9Cl2NO4
Molecular Weight278.09 g/mol
Exact Mass276.99
IUPAC Name2-(2,5-dichloro-3,4-dihydroxyphenyl)-N-ethyl-2-oxoacetamide
SMILESCCNC(=O)C(=O)c1cc(Cl)c(O)c(O)c1Cl
InChIInChI=1S/C10H9Cl2NO4/c1-2-13-10(17)7(14)4-3-5(11)8(15)9(16)6(4)12/h3,15-16H,2H2,1H3,(H,13,17)
InChIKeyJWQYVECXABPNNR-UHFFFAOYSA-N
XLogP1.72
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dichloro-3,4-dihydroxyphenyl)-2-oxoacetaldehyde
CID 144659267
2-chloro-N-ethyl-3,4-dihydroxybenzamide
CID 131977281
3-chloro-N-ethyl-4,5-dihydroxybenzamide
CID 144617791
(1Z)-1-(2,5-dichloro-3,4-dihydroxyphenyl)-1-hydroxyimino-3-methylbutan-2-one
CID 144617801
2-(6-chloronaphthalen-2-yl)-N-ethyl-2-oxoacetamide
CID 163899595
2-(2-chloro-3,4-dihydroxyphenyl)-N-(2-ethyl-2-propylpentyl)-2-oxoacetamide
CID 118549329
3,6-dichloro-4-methylbenzene-1,2-diol
CID 15618185
5-chloro-2,4-dihydroxy-3-methylbenzoic acid
CID 22169093
2-(5-bromo-2-methoxyphenyl)-N-ethyl-2-oxoacetamide
CID 82124362
N-ethyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 82113156
2,3,5-trichloro-4-hydroxybenzoic acid
CID 23600077
ethyl 2,5-dichloro-3-hydroxy-4-methoxybenzoate
CID 170855720

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-3,4-dihydroxyphenyl)-N-ethyl-2-oxoacetamide?
The IUPAC name of 2-(2,5-dichloro-3,4-dihydroxyphenyl)-N-ethyl-2-oxoacetamide (CID 118461197) is 2-(2,5-dichloro-3,4-dihydroxyphenyl)-N-ethyl-2-oxoacetamide.
What is the SMILES notation for 2-(2,5-dichloro-3,4-dihydroxyphenyl)-N-ethyl-2-oxoacetamide?
The canonical SMILES for 2-(2,5-dichloro-3,4-dihydroxyphenyl)-N-ethyl-2-oxoacetamide is CCNC(=O)C(=O)c1cc(Cl)c(O)c(O)c1Cl.
What is the InChIKey of 2-(2,5-dichloro-3,4-dihydroxyphenyl)-N-ethyl-2-oxoacetamide?
The InChIKey is JWQYVECXABPNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO4/c1-2-13-10(17)7(14)4-3-5(11)8(15)9(16)6(4)12/h3,15-16H,2H2,1H3,(H,13,17).
What are the key properties of 2-(2,5-dichloro-3,4-dihydroxyphenyl)-N-ethyl-2-oxoacetamide?
2-(2,5-dichloro-3,4-dihydroxyphenyl)-N-ethyl-2-oxoacetamide has a molecular weight of 278.09 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-3,4-dihydroxyphenyl)-N-ethyl-2-oxoacetamide is sourced from PubChem (CID 118461197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).