6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-2H-chromene-3-carboxamide

C14H16FNO3 — CID 110000594

IUPAC6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-2H-chromene-3-carboxamide
SMILESCC(C)(CO)NC(=O)C1=Cc2cc(F)ccc2OC1
InChIInChI=1S/C14H16FNO3/c1-14(2,8-17)16-13(18)10-5-9-6-11(15)3-4-12(9)19-7-10/h3-6,17H,7-8H2,1-2H3,(H,16,18)
InChIKeyOXHXBDAXEYRWFQ-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.49
Rot. Bonds3

About 6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-2H-chromene-3-carboxamide

6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-2H-chromene-3-carboxamide (PubChem CID 110000594) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-2H-chromene-3-carboxamide
PubChem CID110000594
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-2H-chromene-3-carboxamide
SMILESCC(C)(CO)NC(=O)C1=Cc2cc(F)ccc2OC1
InChIInChI=1S/C14H16FNO3/c1-14(2,8-17)16-13(18)10-5-9-6-11(15)3-4-12(9)19-7-10/h3-6,17H,7-8H2,1-2H3,(H,16,18)
InChIKeyOXHXBDAXEYRWFQ-UHFFFAOYSA-N
XLogP1.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-2H-chromene-3-carboxamide?
The IUPAC name of 6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-2H-chromene-3-carboxamide (CID 110000594) is 6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-2H-chromene-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-2H-chromene-3-carboxamide is CC(C)(CO)NC(=O)C1=Cc2cc(F)ccc2OC1.
What is the InChIKey of 6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-2H-chromene-3-carboxamide?
The InChIKey is OXHXBDAXEYRWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-14(2,8-17)16-13(18)10-5-9-6-11(15)3-4-12(9)19-7-10/h3-6,17H,7-8H2,1-2H3,(H,16,18).
What are the key properties of 6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-2H-chromene-3-carboxamide?
6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-2H-chromene-3-carboxamide has a molecular weight of 265.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 110000594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).