N'-(4-bromo-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide

C12H14BrFN2O3 — CID 47669812

IUPACN'-(4-bromo-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
SMILESCC(CO)CNC(=O)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H14BrFN2O3/c1-7(6-17)5-15-11(18)12(19)16-10-3-2-8(13)4-9(10)14/h2-4,7,17H,5-6H2,1H3,(H,15,18)(H,16,19)
InChIKeyNSBDXIGTCMPRIB-UHFFFAOYSA-N
MW333.16 g/mol
LogP1.27
Rot. Bonds4

About N'-(4-bromo-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide

N'-(4-bromo-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide (PubChem CID 47669812) has the molecular formula C12H14BrFN2O3 and a molecular weight of 333.16 g/mol. Its IUPAC name is N'-(4-bromo-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-(4-bromo-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
PubChem CID47669812
Molecular FormulaC12H14BrFN2O3
Molecular Weight333.16 g/mol
Exact Mass332.02
IUPAC NameN'-(4-bromo-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
SMILESCC(CO)CNC(=O)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H14BrFN2O3/c1-7(6-17)5-15-11(18)12(19)16-10-3-2-8(13)4-9(10)14/h2-4,7,17H,5-6H2,1H3,(H,15,18)(H,16,19)
InChIKeyNSBDXIGTCMPRIB-UHFFFAOYSA-N
XLogP1.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 51.27
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-(3-hydroxy-2-methylpropyl)oxamide?
The IUPAC name of N'-(4-bromo-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide (CID 47669812) is N'-(4-bromo-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide.
What is the SMILES notation for N'-(4-bromo-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
The canonical SMILES for N'-(4-bromo-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide is CC(CO)CNC(=O)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N'-(4-bromo-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
The InChIKey is NSBDXIGTCMPRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O3/c1-7(6-17)5-15-11(18)12(19)16-10-3-2-8(13)4-9(10)14/h2-4,7,17H,5-6H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N'-(4-bromo-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
N'-(4-bromo-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide has a molecular weight of 333.16 g/mol, XLogP of 1.27, 4 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-(3-hydroxy-2-methylpropyl)oxamide is sourced from PubChem (CID 47669812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).