[(4-fluorobenzoyl)amino] 2,2-dimethylpropanoate

C12H14FNO3 — CID 1482244

IUPAC[(4-fluorobenzoyl)amino] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ONC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO3/c1-12(2,3)11(16)17-14-10(15)8-4-6-9(13)7-5-8/h4-7H,1-3H3,(H,14,15)
InChIKeyPXGRUOPMNAJAMP-UHFFFAOYSA-N
MW239.25 g/mol
LogP2.06
Rot. Bonds1

About [(4-fluorobenzoyl)amino] 2,2-dimethylpropanoate

[(4-fluorobenzoyl)amino] 2,2-dimethylpropanoate (PubChem CID 1482244) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is [(4-fluorobenzoyl)amino] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(4-fluorobenzoyl)amino] 2,2-dimethylpropanoate
PubChem CID1482244
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name[(4-fluorobenzoyl)amino] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ONC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO3/c1-12(2,3)11(16)17-14-10(15)8-4-6-9(13)7-5-8/h4-7H,1-3H3,(H,14,15)
InChIKeyPXGRUOPMNAJAMP-UHFFFAOYSA-N
XLogP2.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4-fluorobenzoyl)amino] 2,2-dimethylpropanoate?
The IUPAC name of [(4-fluorobenzoyl)amino] 2,2-dimethylpropanoate (CID 1482244) is [(4-fluorobenzoyl)amino] 2,2-dimethylpropanoate.
What is the SMILES notation for [(4-fluorobenzoyl)amino] 2,2-dimethylpropanoate?
The canonical SMILES for [(4-fluorobenzoyl)amino] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ONC(=O)c1ccc(F)cc1.
What is the InChIKey of [(4-fluorobenzoyl)amino] 2,2-dimethylpropanoate?
The InChIKey is PXGRUOPMNAJAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-12(2,3)11(16)17-14-10(15)8-4-6-9(13)7-5-8/h4-7H,1-3H3,(H,14,15).
What are the key properties of [(4-fluorobenzoyl)amino] 2,2-dimethylpropanoate?
[(4-fluorobenzoyl)amino] 2,2-dimethylpropanoate has a molecular weight of 239.25 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-fluorobenzoyl)amino] 2,2-dimethylpropanoate is sourced from PubChem (CID 1482244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).