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

C11H9BrF2N2O2 — CID 2986821

IUPACN'-(2-bromo-4,6-difluorophenyl)-N-cyclopropyloxamide
SMILESO=C(Nc1c(F)cc(F)cc1Br)C(=O)NC1CC1
InChIInChI=1S/C11H9BrF2N2O2/c12-7-3-5(13)4-8(14)9(7)16-11(18)10(17)15-6-1-2-6/h3-4,6H,1-2H2,(H,15,17)(H,16,18)
InChIKeyLCYGWIDRIHQIGS-UHFFFAOYSA-N
MW319.11 g/mol
LogP1.94
Rot. Bonds2

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

N'-(2-bromo-4,6-difluorophenyl)-N-cyclopropyloxamide (PubChem CID 2986821) has the molecular formula C11H9BrF2N2O2 and a molecular weight of 319.11 g/mol. Its IUPAC name is N'-(2-bromo-4,6-difluorophenyl)-N-cyclopropyloxamide.

Molecular Properties

Compound NameN'-(2-bromo-4,6-difluorophenyl)-N-cyclopropyloxamide
PubChem CID2986821
Molecular FormulaC11H9BrF2N2O2
Molecular Weight319.11 g/mol
Exact Mass317.98
IUPAC NameN'-(2-bromo-4,6-difluorophenyl)-N-cyclopropyloxamide
SMILESO=C(Nc1c(F)cc(F)cc1Br)C(=O)NC1CC1
InChIInChI=1S/C11H9BrF2N2O2/c12-7-3-5(13)4-8(14)9(7)16-11(18)10(17)15-6-1-2-6/h3-4,6H,1-2H2,(H,15,17)(H,16,18)
InChIKeyLCYGWIDRIHQIGS-UHFFFAOYSA-N
XLogP1.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.11
LogP ≤ 51.94
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-cyclopropyloxamide?
The IUPAC name of N'-(2-bromo-4,6-difluorophenyl)-N-cyclopropyloxamide (CID 2986821) is N'-(2-bromo-4,6-difluorophenyl)-N-cyclopropyloxamide.
What is the SMILES notation for N'-(2-bromo-4,6-difluorophenyl)-N-cyclopropyloxamide?
The canonical SMILES for N'-(2-bromo-4,6-difluorophenyl)-N-cyclopropyloxamide is O=C(Nc1c(F)cc(F)cc1Br)C(=O)NC1CC1.
What is the InChIKey of N'-(2-bromo-4,6-difluorophenyl)-N-cyclopropyloxamide?
The InChIKey is LCYGWIDRIHQIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2N2O2/c12-7-3-5(13)4-8(14)9(7)16-11(18)10(17)15-6-1-2-6/h3-4,6H,1-2H2,(H,15,17)(H,16,18).
What are the key properties of N'-(2-bromo-4,6-difluorophenyl)-N-cyclopropyloxamide?
N'-(2-bromo-4,6-difluorophenyl)-N-cyclopropyloxamide has a molecular weight of 319.11 g/mol, XLogP of 1.94, 2 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-cyclopropyloxamide is sourced from PubChem (CID 2986821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).