N'-tert-butyl-N-(2-chloro-6-fluorobenzoyl)oxamide

C13H14ClFN2O3 — CID 2726842

IUPACN'-tert-butyl-N-(2-chloro-6-fluorobenzoyl)oxamide
SMILESCC(C)(C)NC(=O)C(=O)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C13H14ClFN2O3/c1-13(2,3)17-12(20)11(19)16-10(18)9-7(14)5-4-6-8(9)15/h4-6H,1-3H3,(H,17,20)(H,16,18,19)
InChIKeyZOBAPQNBZWLGMM-UHFFFAOYSA-N
MW300.72 g/mol
LogP1.65
Rot. Bonds1

About N'-tert-butyl-N-(2-chloro-6-fluorobenzoyl)oxamide

N'-tert-butyl-N-(2-chloro-6-fluorobenzoyl)oxamide (PubChem CID 2726842) has the molecular formula C13H14ClFN2O3 and a molecular weight of 300.72 g/mol. Its IUPAC name is N'-tert-butyl-N-(2-chloro-6-fluorobenzoyl)oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(2-chloro-6-fluorobenzoyl)oxamide
PubChem CID2726842
Molecular FormulaC13H14ClFN2O3
Molecular Weight300.72 g/mol
Exact Mass300.07
IUPAC NameN'-tert-butyl-N-(2-chloro-6-fluorobenzoyl)oxamide
SMILESCC(C)(C)NC(=O)C(=O)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C13H14ClFN2O3/c1-13(2,3)17-12(20)11(19)16-10(18)9-7(14)5-4-6-8(9)15/h4-6H,1-3H3,(H,17,20)(H,16,18,19)
InChIKeyZOBAPQNBZWLGMM-UHFFFAOYSA-N
XLogP1.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 51.65
H-Bond Donors ≤ 52
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'-tert-butyl-N-(2-chloro-6-fluorobenzoyl)oxamide?
The IUPAC name of N'-tert-butyl-N-(2-chloro-6-fluorobenzoyl)oxamide (CID 2726842) is N'-tert-butyl-N-(2-chloro-6-fluorobenzoyl)oxamide.
What is the SMILES notation for N'-tert-butyl-N-(2-chloro-6-fluorobenzoyl)oxamide?
The canonical SMILES for N'-tert-butyl-N-(2-chloro-6-fluorobenzoyl)oxamide is CC(C)(C)NC(=O)C(=O)NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of N'-tert-butyl-N-(2-chloro-6-fluorobenzoyl)oxamide?
The InChIKey is ZOBAPQNBZWLGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O3/c1-13(2,3)17-12(20)11(19)16-10(18)9-7(14)5-4-6-8(9)15/h4-6H,1-3H3,(H,17,20)(H,16,18,19).
What are the key properties of N'-tert-butyl-N-(2-chloro-6-fluorobenzoyl)oxamide?
N'-tert-butyl-N-(2-chloro-6-fluorobenzoyl)oxamide has a molecular weight of 300.72 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(2-chloro-6-fluorobenzoyl)oxamide is sourced from PubChem (CID 2726842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).