N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide

C14H8Cl2FN3O4 — CID 108512810

IUPACN'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H8Cl2FN3O4/c15-9-3-1-8(6-12(9)20(23)24)19-14(22)13(21)18-7-2-4-11(17)10(16)5-7/h1-6H,(H,18,21)(H,19,22)
InChIKeyZTFDEJYRJJINLC-UHFFFAOYSA-N
MW372.14 g/mol
LogP3.62
Rot. Bonds3

About N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide

N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide (PubChem CID 108512810) has the molecular formula C14H8Cl2FN3O4 and a molecular weight of 372.14 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
PubChem CID108512810
Molecular FormulaC14H8Cl2FN3O4
Molecular Weight372.14 g/mol
Exact Mass370.99
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H8Cl2FN3O4/c15-9-3-1-8(6-12(9)20(23)24)19-14(22)13(21)18-7-2-4-11(17)10(16)5-7/h1-6H,(H,18,21)(H,19,22)
InChIKeyZTFDEJYRJJINLC-UHFFFAOYSA-N
XLogP3.62
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.14
LogP ≤ 53.62
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'-(2,3,4-trifluorophenyl)oxamide
CID 108512870
N-(3-chloro-4-fluorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
CID 1327932
N'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108512875
N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide
CID 108506810
N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108512848
N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108512821
N'-(4-chloro-3-nitrophenyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 108512828
methyl 2-(4-chloro-3-nitroanilino)-2-oxoacetate
CID 103601678
N'-(4-chloro-3-nitrophenyl)-N-(3-methylsulfanylphenyl)oxamide
CID 108512717
N-(3-chloro-4-fluorophenyl)-2-(4-chloro-3-nitrobenzoyl)benzamide
CID 18271698
N-(4-chloro-3-nitrophenyl)-N'-(2,3-dichlorophenyl)oxamide
CID 108500702
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'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide (CID 108512810) is N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide is O=C(Nc1ccc(F)c(Cl)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide?
The InChIKey is ZTFDEJYRJJINLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FN3O4/c15-9-3-1-8(6-12(9)20(23)24)19-14(22)13(21)18-7-2-4-11(17)10(16)5-7/h1-6H,(H,18,21)(H,19,22).
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide?
N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide has a molecular weight of 372.14 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide is sourced from PubChem (CID 108512810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).