6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide

C17H18FNO4 — CID 88588072

IUPAC6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide
SMILESCC(C)NC(=O)c1oc(CF)cc(=O)c1OCc1ccccc1
InChIInChI=1S/C17H18FNO4/c1-11(2)19-17(21)16-15(14(20)8-13(9-18)23-16)22-10-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeySBHMTKPVHBFSPP-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.83
Rot. Bonds6

About 6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide

6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide (PubChem CID 88588072) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is 6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide.

Molecular Properties

Compound Name6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide
PubChem CID88588072
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide
SMILESCC(C)NC(=O)c1oc(CF)cc(=O)c1OCc1ccccc1
InChIInChI=1S/C17H18FNO4/c1-11(2)19-17(21)16-15(14(20)8-13(9-18)23-16)22-10-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeySBHMTKPVHBFSPP-UHFFFAOYSA-N
XLogP2.83
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide?
The IUPAC name of 6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide (CID 88588072) is 6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide.
What is the SMILES notation for 6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide?
The canonical SMILES for 6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide is CC(C)NC(=O)c1oc(CF)cc(=O)c1OCc1ccccc1.
What is the InChIKey of 6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide?
The InChIKey is SBHMTKPVHBFSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-11(2)19-17(21)16-15(14(20)8-13(9-18)23-16)22-10-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,19,21).
What are the key properties of 6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide?
6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide has a molecular weight of 319.33 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide is sourced from PubChem (CID 88588072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).