N-(3-chlorophenyl)-N'-(2,3,4-trifluorophenyl)oxamide

C14H8ClF3N2O2 — CID 108516579

IUPACN-(3-chlorophenyl)-N'-(2,3,4-trifluorophenyl)oxamide
SMILESO=C(Nc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H8ClF3N2O2/c15-7-2-1-3-8(6-7)19-13(21)14(22)20-10-5-4-9(16)11(17)12(10)18/h1-6H,(H,19,21)(H,20,22)
InChIKeyVBRJXNYGRXNKNU-UHFFFAOYSA-N
MW328.68 g/mol
LogP3.33
Rot. Bonds2

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

N-(3-chlorophenyl)-N'-(2,3,4-trifluorophenyl)oxamide (PubChem CID 108516579) has the molecular formula C14H8ClF3N2O2 and a molecular weight of 328.68 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-(2,3,4-trifluorophenyl)oxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-(2,3,4-trifluorophenyl)oxamide
PubChem CID108516579
Molecular FormulaC14H8ClF3N2O2
Molecular Weight328.68 g/mol
Exact Mass328.02
IUPAC NameN-(3-chlorophenyl)-N'-(2,3,4-trifluorophenyl)oxamide
SMILESO=C(Nc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H8ClF3N2O2/c15-7-2-1-3-8(6-7)19-13(21)14(22)20-10-5-4-9(16)11(17)12(10)18/h1-6H,(H,19,21)(H,20,22)
InChIKeyVBRJXNYGRXNKNU-UHFFFAOYSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.68
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108524160
N-(4-chloro-3-nitrophenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108512870
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
N'-(3,5-dichlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide
CID 47043076
N-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109163462
N-(3-chlorophenyl)-2-(2,3-difluoroanilino)acetamide
CID 47336969
N'-(5-chloro-2-methylphenyl)-N-(3-fluorophenyl)oxamide
CID 108511843
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523
1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
(E)-3-(3-chlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 2521630
3-[(2,3,4-trifluorophenyl)carbamoylamino]benzoic acid
CID 108892424

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-(2,3,4-trifluorophenyl)oxamide?
The IUPAC name of N-(3-chlorophenyl)-N'-(2,3,4-trifluorophenyl)oxamide (CID 108516579) is N-(3-chlorophenyl)-N'-(2,3,4-trifluorophenyl)oxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-(2,3,4-trifluorophenyl)oxamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-(2,3,4-trifluorophenyl)oxamide is O=C(Nc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-(3-chlorophenyl)-N'-(2,3,4-trifluorophenyl)oxamide?
The InChIKey is VBRJXNYGRXNKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O2/c15-7-2-1-3-8(6-7)19-13(21)14(22)20-10-5-4-9(16)11(17)12(10)18/h1-6H,(H,19,21)(H,20,22).
What are the key properties of N-(3-chlorophenyl)-N'-(2,3,4-trifluorophenyl)oxamide?
N-(3-chlorophenyl)-N'-(2,3,4-trifluorophenyl)oxamide has a molecular weight of 328.68 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-(2,3,4-trifluorophenyl)oxamide is sourced from PubChem (CID 108516579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).