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

C9H7BrF2N2O2 — CID 2986147

IUPACN'-(2-bromo-4,6-difluorophenyl)-N-methyloxamide
SMILESCNC(=O)C(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C9H7BrF2N2O2/c1-13-8(15)9(16)14-7-5(10)2-4(11)3-6(7)12/h2-3H,1H3,(H,13,15)(H,14,16)
InChIKeyWICYQXKNOPRCGN-UHFFFAOYSA-N
MW293.07 g/mol
LogP1.41
Rot. Bonds1

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

N'-(2-bromo-4,6-difluorophenyl)-N-methyloxamide (PubChem CID 2986147) has the molecular formula C9H7BrF2N2O2 and a molecular weight of 293.07 g/mol. Its IUPAC name is N'-(2-bromo-4,6-difluorophenyl)-N-methyloxamide.

Molecular Properties

Compound NameN'-(2-bromo-4,6-difluorophenyl)-N-methyloxamide
PubChem CID2986147
Molecular FormulaC9H7BrF2N2O2
Molecular Weight293.07 g/mol
Exact Mass291.97
IUPAC NameN'-(2-bromo-4,6-difluorophenyl)-N-methyloxamide
SMILESCNC(=O)C(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C9H7BrF2N2O2/c1-13-8(15)9(16)14-7-5(10)2-4(11)3-6(7)12/h2-3H,1H3,(H,13,15)(H,14,16)
InChIKeyWICYQXKNOPRCGN-UHFFFAOYSA-N
XLogP1.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.07
LogP ≤ 51.41
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)-N-methyloxamide?
The IUPAC name of N'-(2-bromo-4,6-difluorophenyl)-N-methyloxamide (CID 2986147) is N'-(2-bromo-4,6-difluorophenyl)-N-methyloxamide.
What is the SMILES notation for N'-(2-bromo-4,6-difluorophenyl)-N-methyloxamide?
The canonical SMILES for N'-(2-bromo-4,6-difluorophenyl)-N-methyloxamide is CNC(=O)C(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of N'-(2-bromo-4,6-difluorophenyl)-N-methyloxamide?
The InChIKey is WICYQXKNOPRCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2O2/c1-13-8(15)9(16)14-7-5(10)2-4(11)3-6(7)12/h2-3H,1H3,(H,13,15)(H,14,16).
What are the key properties of N'-(2-bromo-4,6-difluorophenyl)-N-methyloxamide?
N'-(2-bromo-4,6-difluorophenyl)-N-methyloxamide has a molecular weight of 293.07 g/mol, XLogP of 1.41, 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)-N-methyloxamide is sourced from PubChem (CID 2986147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).