N-(4-chloro-3-nitrophenyl)-N'-(2-cyanophenyl)oxamide

C15H9ClN4O4 — CID 108501526

IUPACN-(4-chloro-3-nitrophenyl)-N'-(2-cyanophenyl)oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H9ClN4O4/c16-11-6-5-10(7-13(11)20(23)24)18-14(21)15(22)19-12-4-2-1-3-9(12)8-17/h1-7H,(H,18,21)(H,19,22)
InChIKeyZLQGGTDOPZUVKB-UHFFFAOYSA-N
MW344.71 g/mol
LogP2.70
Rot. Bonds3

About N-(4-chloro-3-nitrophenyl)-N'-(2-cyanophenyl)oxamide

N-(4-chloro-3-nitrophenyl)-N'-(2-cyanophenyl)oxamide (PubChem CID 108501526) has the molecular formula C15H9ClN4O4 and a molecular weight of 344.71 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-N'-(2-cyanophenyl)oxamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-N'-(2-cyanophenyl)oxamide
PubChem CID108501526
Molecular FormulaC15H9ClN4O4
Molecular Weight344.71 g/mol
Exact Mass344.03
IUPAC NameN-(4-chloro-3-nitrophenyl)-N'-(2-cyanophenyl)oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H9ClN4O4/c16-11-6-5-10(7-13(11)20(23)24)18-14(21)15(22)19-12-4-2-1-3-9(12)8-17/h1-7H,(H,18,21)(H,19,22)
InChIKeyZLQGGTDOPZUVKB-UHFFFAOYSA-N
XLogP2.70
TPSA125.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.71
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
3-(4-chloro-3-nitrophenyl)-N-(2-cyanophenyl)prop-2-enamide
CID 960318
N-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide
CID 108501543
N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108512848
N'-(4-chloro-3-nitrophenyl)-N-(4-phenoxyphenyl)oxamide
CID 108511578
N-(4-chloro-3-nitrophenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108512870
N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108512821
N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512810
N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide
CID 108506810
(Z)-N-(4-chloro-3-nitrophenyl)-2-cyano-3-(N-methylanilino)prop-2-enamide
CID 108852267
N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
CID 108501554
methyl 2-(4-chloro-3-nitroanilino)-2-oxoacetate
CID 103601678

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-N'-(2-cyanophenyl)oxamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-N'-(2-cyanophenyl)oxamide (CID 108501526) is N-(4-chloro-3-nitrophenyl)-N'-(2-cyanophenyl)oxamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-N'-(2-cyanophenyl)oxamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-N'-(2-cyanophenyl)oxamide is N#Cc1ccccc1NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-N'-(2-cyanophenyl)oxamide?
The InChIKey is ZLQGGTDOPZUVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O4/c16-11-6-5-10(7-13(11)20(23)24)18-14(21)15(22)19-12-4-2-1-3-9(12)8-17/h1-7H,(H,18,21)(H,19,22).
What are the key properties of N-(4-chloro-3-nitrophenyl)-N'-(2-cyanophenyl)oxamide?
N-(4-chloro-3-nitrophenyl)-N'-(2-cyanophenyl)oxamide has a molecular weight of 344.71 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-N'-(2-cyanophenyl)oxamide is sourced from PubChem (CID 108501526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).