N'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide

C12H15Cl2N3O2 — CID 108501046

IUPACN'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2N3O2/c1-17(2)6-5-15-11(18)12(19)16-10-7-8(13)3-4-9(10)14/h3-4,7H,5-6H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyIOCLTBWQROFWFK-UHFFFAOYSA-N
MW304.18 g/mol
LogP1.61
Rot. Bonds4

About N'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide

N'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide (PubChem CID 108501046) has the molecular formula C12H15Cl2N3O2 and a molecular weight of 304.18 g/mol. Its IUPAC name is N'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide
PubChem CID108501046
Molecular FormulaC12H15Cl2N3O2
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC NameN'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2N3O2/c1-17(2)6-5-15-11(18)12(19)16-10-7-8(13)3-4-9(10)14/h3-4,7H,5-6H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyIOCLTBWQROFWFK-UHFFFAOYSA-N
XLogP1.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 44902655
N-(2,5-dichlorophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960336
6-N-(2,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096411
N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 47225106
N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 7585401
N-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide
CID 7541475
N-(2-amino-2-sulfanylideneethyl)-N'-(2,5-dichlorophenyl)oxamide
CID 43316125
N-(2,5-dichlorophenyl)-N',N'-diethyloxamide
CID 39370052
N'-(2,5-dichlorophenyl)-N-(2-piperazin-1-ylethyl)oxamide
CID 108500963
N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide
CID 2988512
6-(2,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344394
1-(3-bromopropyl)-3-(2,5-dichlorophenyl)-1-methylurea
CID 106441565

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide?
The IUPAC name of N'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide (CID 108501046) is N'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide.
What is the SMILES notation for N'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide?
The canonical SMILES for N'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide is CN(C)CCNC(=O)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide?
The InChIKey is IOCLTBWQROFWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O2/c1-17(2)6-5-15-11(18)12(19)16-10-7-8(13)3-4-9(10)14/h3-4,7H,5-6H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide?
N'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide has a molecular weight of 304.18 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide is sourced from PubChem (CID 108501046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).