N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide

C14H8Cl3N3O4 — CID 108512848

IUPACN-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H8Cl3N3O4/c15-8-5-4-7(6-11(8)20(23)24)18-13(21)14(22)19-12-9(16)2-1-3-10(12)17/h1-6H,(H,18,21)(H,19,22)
InChIKeyBUEPUTZGZYOMLK-UHFFFAOYSA-N
MW388.59 g/mol
LogP4.13
Rot. Bonds3

About N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide

N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide (PubChem CID 108512848) has the molecular formula C14H8Cl3N3O4 and a molecular weight of 388.59 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide
PubChem CID108512848
Molecular FormulaC14H8Cl3N3O4
Molecular Weight388.59 g/mol
Exact Mass386.96
IUPAC NameN-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H8Cl3N3O4/c15-8-5-4-7(6-11(8)20(23)24)18-13(21)14(22)19-12-9(16)2-1-3-10(12)17/h1-6H,(H,18,21)(H,19,22)
InChIKeyBUEPUTZGZYOMLK-UHFFFAOYSA-N
XLogP4.13
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.59
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-3-nitrophenyl)-N'-(2,3-dichlorophenyl)oxamide
CID 108500702
N'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108512875
N'-(4-chloro-3-nitrophenyl)-N-(3-methylsulfanylphenyl)oxamide
CID 108512717
N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512810
N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108512821
N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide
CID 108506810
N'-(4-chloro-3-nitrophenyl)-N-(4-phenoxyphenyl)oxamide
CID 108511578
methyl 2-(4-chloro-3-nitroanilino)-2-oxoacetate
CID 103601678
N-(4-chloro-3-nitrophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108512763
N-(4-chloro-3-nitrophenyl)thiophene-2-carboxamide
CID 768178
N-(4-chloro-3-nitrophenyl)-N'-(2-cyanophenyl)oxamide
CID 108501526
4-(4-chloro-3-nitroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991515

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide (CID 108512848) is N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide is O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide?
The InChIKey is BUEPUTZGZYOMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N3O4/c15-8-5-4-7(6-11(8)20(23)24)18-13(21)14(22)19-12-9(16)2-1-3-10(12)17/h1-6H,(H,18,21)(H,19,22).
What are the key properties of N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide?
N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide has a molecular weight of 388.59 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide is sourced from PubChem (CID 108512848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).