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

C14H7ClF3N3O4 — CID 108512870

IUPACN-(4-chloro-3-nitrophenyl)-N'-(2,3,4-trifluorophenyl)oxamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H7ClF3N3O4/c15-7-2-1-6(5-10(7)21(24)25)19-13(22)14(23)20-9-4-3-8(16)11(17)12(9)18/h1-5H,(H,19,22)(H,20,23)
InChIKeyOTGFSTXAPIBURJ-UHFFFAOYSA-N
MW373.67 g/mol
LogP3.24
Rot. Bonds3

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

N-(4-chloro-3-nitrophenyl)-N'-(2,3,4-trifluorophenyl)oxamide (PubChem CID 108512870) has the molecular formula C14H7ClF3N3O4 and a molecular weight of 373.67 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-N'-(2,3,4-trifluorophenyl)oxamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-N'-(2,3,4-trifluorophenyl)oxamide
PubChem CID108512870
Molecular FormulaC14H7ClF3N3O4
Molecular Weight373.67 g/mol
Exact Mass373.01
IUPAC NameN-(4-chloro-3-nitrophenyl)-N'-(2,3,4-trifluorophenyl)oxamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H7ClF3N3O4/c15-7-2-1-6(5-10(7)21(24)25)19-13(22)14(23)20-9-4-3-8(16)11(17)12(9)18/h1-5H,(H,19,22)(H,20,23)
InChIKeyOTGFSTXAPIBURJ-UHFFFAOYSA-N
XLogP3.24
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.67
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512810
N-(3-chlorophenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108516579
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'-(2,6-dichlorophenyl)oxamide
CID 108512848
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-(diethylamino)-2-methylphenyl]oxamide
CID 108512851
N-(4-chloro-3-nitrophenyl)-N'-(2-cyanophenyl)oxamide
CID 108501526
N'-(4-chloro-3-nitrophenyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 108512828
methyl 2-(4-chloro-3-nitroanilino)-2-oxoacetate
CID 103601678
5-chloro-4-nitro-N-(2,3,4-trifluorophenyl)thiophene-2-carboxamide
CID 84576319

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-N'-(2,3,4-trifluorophenyl)oxamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-N'-(2,3,4-trifluorophenyl)oxamide (CID 108512870) is N-(4-chloro-3-nitrophenyl)-N'-(2,3,4-trifluorophenyl)oxamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-N'-(2,3,4-trifluorophenyl)oxamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-N'-(2,3,4-trifluorophenyl)oxamide is O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-N'-(2,3,4-trifluorophenyl)oxamide?
The InChIKey is OTGFSTXAPIBURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF3N3O4/c15-7-2-1-6(5-10(7)21(24)25)19-13(22)14(23)20-9-4-3-8(16)11(17)12(9)18/h1-5H,(H,19,22)(H,20,23).
What are the key properties of N-(4-chloro-3-nitrophenyl)-N'-(2,3,4-trifluorophenyl)oxamide?
N-(4-chloro-3-nitrophenyl)-N'-(2,3,4-trifluorophenyl)oxamide has a molecular weight of 373.67 g/mol, XLogP of 3.24, 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'-(2,3,4-trifluorophenyl)oxamide is sourced from PubChem (CID 108512870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).