N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide

C17H16Cl2N2O2 — CID 108500995

IUPACN'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c1-2-21(11-12-6-4-3-5-7-12)17(23)16(22)20-15-10-13(18)8-9-14(15)19/h3-10H,2,11H2,1H3,(H,20,22)
InChIKeyPBEIVKNPQSGUCZ-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.98
Rot. Bonds4

About N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide

N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide (PubChem CID 108500995) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide.

Molecular Properties

Compound NameN'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide
PubChem CID108500995
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c1-2-21(11-12-6-4-3-5-7-12)17(23)16(22)20-15-10-13(18)8-9-14(15)19/h3-10H,2,11H2,1H3,(H,20,22)
InChIKeyPBEIVKNPQSGUCZ-UHFFFAOYSA-N
XLogP3.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.98
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-(2,5-dichlorophenyl)-N',N'-diethyloxamide
CID 39370052
N'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide
CID 108502823
N',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide
CID 108523701
N'-benzyl-N-(4-chloro-3-nitrophenyl)-N'-ethyloxamide
CID 108512739
3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108886137
5-[benzyl(methyl)amino]-N-(2,5-dichlorophenyl)pyridine-2-carboxamide
CID 109189327
N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide
CID 108523230
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-[2-chloro-5-(diethylcarbamoyl)phenyl]-N',N'-diethyloxamide
CID 50961889
N',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide
CID 108500761
N'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide
CID 108523235
N'-benzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2-hydroxyethyl)oxamide
CID 108523839

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide?
The IUPAC name of N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide (CID 108500995) is N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide.
What is the SMILES notation for N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide?
The canonical SMILES for N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide is CCN(Cc1ccccc1)C(=O)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide?
The InChIKey is PBEIVKNPQSGUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-2-21(11-12-6-4-3-5-7-12)17(23)16(22)20-15-10-13(18)8-9-14(15)19/h3-10H,2,11H2,1H3,(H,20,22).
What are the key properties of N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide?
N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide has a molecular weight of 351.23 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide is sourced from PubChem (CID 108500995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).