N-(2-bromo-4,6-difluorophenyl)-N'-propan-2-yloxamide

C11H11BrF2N2O2 — CID 2987459

IUPACN-(2-bromo-4,6-difluorophenyl)-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H11BrF2N2O2/c1-5(2)15-10(17)11(18)16-9-7(12)3-6(13)4-8(9)14/h3-5H,1-2H3,(H,15,17)(H,16,18)
InChIKeyHIJAZINNGPYZCU-UHFFFAOYSA-N
MW321.12 g/mol
LogP2.19
Rot. Bonds2

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

N-(2-bromo-4,6-difluorophenyl)-N'-propan-2-yloxamide (PubChem CID 2987459) has the molecular formula C11H11BrF2N2O2 and a molecular weight of 321.12 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-N'-propan-2-yloxamide
PubChem CID2987459
Molecular FormulaC11H11BrF2N2O2
Molecular Weight321.12 g/mol
Exact Mass320.00
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H11BrF2N2O2/c1-5(2)15-10(17)11(18)16-9-7(12)3-6(13)4-8(9)14/h3-5H,1-2H3,(H,15,17)(H,16,18)
InChIKeyHIJAZINNGPYZCU-UHFFFAOYSA-N
XLogP2.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.12
LogP ≤ 52.19
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'-propan-2-yloxamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-N'-propan-2-yloxamide (CID 2987459) is N-(2-bromo-4,6-difluorophenyl)-N'-propan-2-yloxamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-N'-propan-2-yloxamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-N'-propan-2-yloxamide is CC(C)NC(=O)C(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-N'-propan-2-yloxamide?
The InChIKey is HIJAZINNGPYZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N2O2/c1-5(2)15-10(17)11(18)16-9-7(12)3-6(13)4-8(9)14/h3-5H,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-N'-propan-2-yloxamide?
N-(2-bromo-4,6-difluorophenyl)-N'-propan-2-yloxamide has a molecular weight of 321.12 g/mol, XLogP of 2.19, 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'-propan-2-yloxamide is sourced from PubChem (CID 2987459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).