N-(4-bromo-2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide

C11H12BrFN2O3 — CID 47228955

IUPACN-(4-bromo-2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
SMILESCC(CO)NC(=O)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H12BrFN2O3/c1-6(5-16)14-10(17)11(18)15-9-3-2-7(12)4-8(9)13/h2-4,6,16H,5H2,1H3,(H,14,17)(H,15,18)
InChIKeyFRCJZEQENPZHPK-UHFFFAOYSA-N
MW319.13 g/mol
LogP1.02
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide

N-(4-bromo-2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide (PubChem CID 47228955) has the molecular formula C11H12BrFN2O3 and a molecular weight of 319.13 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
PubChem CID47228955
Molecular FormulaC11H12BrFN2O3
Molecular Weight319.13 g/mol
Exact Mass318.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
SMILESCC(CO)NC(=O)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H12BrFN2O3/c1-6(5-16)14-10(17)11(18)15-9-3-2-7(12)4-8(9)13/h2-4,6,16H,5H2,1H3,(H,14,17)(H,15,18)
InChIKeyFRCJZEQENPZHPK-UHFFFAOYSA-N
XLogP1.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.13
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(4-bromo-2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide (CID 47228955) is N-(4-bromo-2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide is CC(CO)NC(=O)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
The InChIKey is FRCJZEQENPZHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O3/c1-6(5-16)14-10(17)11(18)15-9-3-2-7(12)4-8(9)13/h2-4,6,16H,5H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(4-bromo-2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
N-(4-bromo-2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide has a molecular weight of 319.13 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide is sourced from PubChem (CID 47228955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).