N'-(2-bromo-4,6-difluorophenyl)oxamide

C8H5BrF2N2O2 — CID 2986891

IUPACN'-(2-bromo-4,6-difluorophenyl)oxamide
SMILESNC(=O)C(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C8H5BrF2N2O2/c9-4-1-3(10)2-5(11)6(4)13-8(15)7(12)14/h1-2H,(H2,12,14)(H,13,15)
InChIKeyLVVQOOWBARKXJP-UHFFFAOYSA-N
MW279.04 g/mol
LogP1.15
Rot. Bonds1

About N'-(2-bromo-4,6-difluorophenyl)oxamide

N'-(2-bromo-4,6-difluorophenyl)oxamide (PubChem CID 2986891) has the molecular formula C8H5BrF2N2O2 and a molecular weight of 279.04 g/mol. Its IUPAC name is N'-(2-bromo-4,6-difluorophenyl)oxamide.

Molecular Properties

Compound NameN'-(2-bromo-4,6-difluorophenyl)oxamide
PubChem CID2986891
Molecular FormulaC8H5BrF2N2O2
Molecular Weight279.04 g/mol
Exact Mass277.95
IUPAC NameN'-(2-bromo-4,6-difluorophenyl)oxamide
SMILESNC(=O)C(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C8H5BrF2N2O2/c9-4-1-3(10)2-5(11)6(4)13-8(15)7(12)14/h1-2H,(H2,12,14)(H,13,15)
InChIKeyLVVQOOWBARKXJP-UHFFFAOYSA-N
XLogP1.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.04
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-bromo-4,6-difluorophenyl)oxamide?
The IUPAC name of N'-(2-bromo-4,6-difluorophenyl)oxamide (CID 2986891) is N'-(2-bromo-4,6-difluorophenyl)oxamide.
What is the SMILES notation for N'-(2-bromo-4,6-difluorophenyl)oxamide?
The canonical SMILES for N'-(2-bromo-4,6-difluorophenyl)oxamide is NC(=O)C(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of N'-(2-bromo-4,6-difluorophenyl)oxamide?
The InChIKey is LVVQOOWBARKXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N2O2/c9-4-1-3(10)2-5(11)6(4)13-8(15)7(12)14/h1-2H,(H2,12,14)(H,13,15).
What are the key properties of N'-(2-bromo-4,6-difluorophenyl)oxamide?
N'-(2-bromo-4,6-difluorophenyl)oxamide has a molecular weight of 279.04 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromo-4,6-difluorophenyl)oxamide is sourced from PubChem (CID 2986891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).