N-(2,5-dichlorophenyl)-N',N'-diethyloxamide

C12H14Cl2N2O2 — CID 39370052

IUPACN-(2,5-dichlorophenyl)-N',N'-diethyloxamide
SMILESCCN(CC)C(=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-3-16(4-2)12(18)11(17)15-10-7-8(13)5-6-9(10)14/h5-7H,3-4H2,1-2H3,(H,15,17)
InChIKeyBJMJDTGQLBNZIZ-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.80
Rot. Bonds3

About N-(2,5-dichlorophenyl)-N',N'-diethyloxamide

N-(2,5-dichlorophenyl)-N',N'-diethyloxamide (PubChem CID 39370052) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-N',N'-diethyloxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-N',N'-diethyloxamide
PubChem CID39370052
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC NameN-(2,5-dichlorophenyl)-N',N'-diethyloxamide
SMILESCCN(CC)C(=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-3-16(4-2)12(18)11(17)15-10-7-8(13)5-6-9(10)14/h5-7H,3-4H2,1-2H3,(H,15,17)
InChIKeyBJMJDTGQLBNZIZ-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide
CID 108500995
N-[2-chloro-5-(diethylcarbamoyl)phenyl]-N',N'-diethyloxamide
CID 50961889
methyl 2-[(2,5-dichlorophenyl)carbamoyl-ethylamino]acetate
CID 54998078
N-(5-chloro-2-hydroxyphenyl)-N',N'-dipropyloxamide
CID 108519738
1-N-(2,5-dichlorophenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979145
N-(5-chloro-2-methoxyphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 47336209
3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108886137
methyl 2-(2,5-dichloroanilino)-2-oxoacetate
CID 11543309
N-(2,5-dichlorophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108500926
N'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108501046
3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106831
N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide
CID 4629651

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-N',N'-diethyloxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-N',N'-diethyloxamide (CID 39370052) is N-(2,5-dichlorophenyl)-N',N'-diethyloxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-N',N'-diethyloxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-N',N'-diethyloxamide is CCN(CC)C(=O)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-N',N'-diethyloxamide?
The InChIKey is BJMJDTGQLBNZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-3-16(4-2)12(18)11(17)15-10-7-8(13)5-6-9(10)14/h5-7H,3-4H2,1-2H3,(H,15,17).
What are the key properties of N-(2,5-dichlorophenyl)-N',N'-diethyloxamide?
N-(2,5-dichlorophenyl)-N',N'-diethyloxamide has a molecular weight of 289.16 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-N',N'-diethyloxamide is sourced from PubChem (CID 39370052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).