N'-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]oxamide

C16H15Cl2N3O2 — CID 108527910

IUPACN'-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]oxamide
SMILESCN(C)c1ccc(NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H15Cl2N3O2/c1-21(2)14-5-3-12(4-6-14)19-15(22)16(23)20-13-8-10(17)7-11(18)9-13/h3-9H,1-2H3,(H,19,22)(H,20,23)
InChIKeyJHQIEUPHFZVOOR-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.64
Rot. Bonds3

About N'-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]oxamide

N'-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]oxamide (PubChem CID 108527910) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is N'-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]oxamide.

Molecular Properties

Compound NameN'-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]oxamide
PubChem CID108527910
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC NameN'-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]oxamide
SMILESCN(C)c1ccc(NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H15Cl2N3O2/c1-21(2)14-5-3-12(4-6-14)19-15(22)16(23)20-13-8-10(17)7-11(18)9-13/h3-9H,1-2H3,(H,19,22)(H,20,23)
InChIKeyJHQIEUPHFZVOOR-UHFFFAOYSA-N
XLogP3.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(3,5-dichlorophenyl)-N-(4-hydroxyphenyl)oxamide
CID 108502099
N-(4-anilinophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108525447
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523
1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108886172
N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide
CID 7585522
N'-(3,5-dichlorophenyl)-N-(2-ethylphenyl)oxamide
CID 108530358
(E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide
CID 134939833
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
2-(3-chloroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 109008440
4-chloro-N-[4-(dimethylamino)phenyl]thiophene-2-carboxamide
CID 110861967
N-(3,5-dichlorophenyl)-2-hydrazinyl-2-oxoacetamide
CID 4862754
N,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide
CID 4195596

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]oxamide?
The IUPAC name of N'-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]oxamide (CID 108527910) is N'-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]oxamide.
What is the SMILES notation for N'-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]oxamide?
The canonical SMILES for N'-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]oxamide is CN(C)c1ccc(NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N'-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]oxamide?
The InChIKey is JHQIEUPHFZVOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c1-21(2)14-5-3-12(4-6-14)19-15(22)16(23)20-13-8-10(17)7-11(18)9-13/h3-9H,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N'-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]oxamide?
N'-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]oxamide has a molecular weight of 352.22 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]oxamide is sourced from PubChem (CID 108527910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).