propan-2-yl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate

C15H21FN2O3 — CID 166527211

IUPACpropan-2-yl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate
SMILESCNC(=O)c1ccc(NC(C)(C)C(=O)OC(C)C)cc1F
InChIInChI=1S/C15H21FN2O3/c1-9(2)21-14(20)15(3,4)18-10-6-7-11(12(16)8-10)13(19)17-5/h6-9,18H,1-5H3,(H,17,19)
InChIKeyCTBQVEUFPOFEMI-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.33
Rot. Bonds5

About propan-2-yl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate

propan-2-yl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate (PubChem CID 166527211) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is propan-2-yl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate
PubChem CID166527211
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Namepropan-2-yl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate
SMILESCNC(=O)c1ccc(NC(C)(C)C(=O)OC(C)C)cc1F
InChIInChI=1S/C15H21FN2O3/c1-9(2)21-14(20)15(3,4)18-10-6-7-11(12(16)8-10)13(19)17-5/h6-9,18H,1-5H3,(H,17,19)
InChIKeyCTBQVEUFPOFEMI-UHFFFAOYSA-N
XLogP2.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate?
The IUPAC name of propan-2-yl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate (CID 166527211) is propan-2-yl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate.
What is the SMILES notation for propan-2-yl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate?
The canonical SMILES for propan-2-yl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate is CNC(=O)c1ccc(NC(C)(C)C(=O)OC(C)C)cc1F.
What is the InChIKey of propan-2-yl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate?
The InChIKey is CTBQVEUFPOFEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-9(2)21-14(20)15(3,4)18-10-6-7-11(12(16)8-10)13(19)17-5/h6-9,18H,1-5H3,(H,17,19).
What are the key properties of propan-2-yl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate?
propan-2-yl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate has a molecular weight of 296.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoate is sourced from PubChem (CID 166527211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).