[(2-fluoro-5-methylbenzoyl)amino] 2,2-dimethylpropanoate

C13H16FNO3 — CID 170765269

IUPAC[(2-fluoro-5-methylbenzoyl)amino] 2,2-dimethylpropanoate
SMILESCc1ccc(F)c(C(=O)NOC(=O)C(C)(C)C)c1
InChIInChI=1S/C13H16FNO3/c1-8-5-6-10(14)9(7-8)11(16)15-18-12(17)13(2,3)4/h5-7H,1-4H3,(H,15,16)
InChIKeyHYJPYWJAWSSOGX-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.37
Rot. Bonds1

About [(2-fluoro-5-methylbenzoyl)amino] 2,2-dimethylpropanoate

[(2-fluoro-5-methylbenzoyl)amino] 2,2-dimethylpropanoate (PubChem CID 170765269) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is [(2-fluoro-5-methylbenzoyl)amino] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2-fluoro-5-methylbenzoyl)amino] 2,2-dimethylpropanoate
PubChem CID170765269
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name[(2-fluoro-5-methylbenzoyl)amino] 2,2-dimethylpropanoate
SMILESCc1ccc(F)c(C(=O)NOC(=O)C(C)(C)C)c1
InChIInChI=1S/C13H16FNO3/c1-8-5-6-10(14)9(7-8)11(16)15-18-12(17)13(2,3)4/h5-7H,1-4H3,(H,15,16)
InChIKeyHYJPYWJAWSSOGX-UHFFFAOYSA-N
XLogP2.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.37
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 [(2-fluoro-5-methylbenzoyl)amino] 2,2-dimethylpropanoate?
The IUPAC name of [(2-fluoro-5-methylbenzoyl)amino] 2,2-dimethylpropanoate (CID 170765269) is [(2-fluoro-5-methylbenzoyl)amino] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2-fluoro-5-methylbenzoyl)amino] 2,2-dimethylpropanoate?
The canonical SMILES for [(2-fluoro-5-methylbenzoyl)amino] 2,2-dimethylpropanoate is Cc1ccc(F)c(C(=O)NOC(=O)C(C)(C)C)c1.
What is the InChIKey of [(2-fluoro-5-methylbenzoyl)amino] 2,2-dimethylpropanoate?
The InChIKey is HYJPYWJAWSSOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-8-5-6-10(14)9(7-8)11(16)15-18-12(17)13(2,3)4/h5-7H,1-4H3,(H,15,16).
What are the key properties of [(2-fluoro-5-methylbenzoyl)amino] 2,2-dimethylpropanoate?
[(2-fluoro-5-methylbenzoyl)amino] 2,2-dimethylpropanoate has a molecular weight of 253.27 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-fluoro-5-methylbenzoyl)amino] 2,2-dimethylpropanoate is sourced from PubChem (CID 170765269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).