6-fluoro-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide

C19H18FNO5 — CID 167882652

IUPAC6-fluoro-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide
SMILESCC(CO)(NC(=O)C1CC(=O)c2cc(F)ccc2O1)c1ccc(O)cc1
InChIInChI=1S/C19H18FNO5/c1-19(10-22,11-2-5-13(23)6-3-11)21-18(25)17-9-15(24)14-8-12(20)4-7-16(14)26-17/h2-8,17,22-23H,9-10H2,1H3,(H,21,25)
InChIKeyCAXVHWGDKQYHRA-UHFFFAOYSA-N
MW359.35 g/mol
LogP1.89
Rot. Bonds4

About 6-fluoro-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide

6-fluoro-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide (PubChem CID 167882652) has the molecular formula C19H18FNO5 and a molecular weight of 359.35 g/mol. Its IUPAC name is 6-fluoro-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide
PubChem CID167882652
Molecular FormulaC19H18FNO5
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name6-fluoro-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide
SMILESCC(CO)(NC(=O)C1CC(=O)c2cc(F)ccc2O1)c1ccc(O)cc1
InChIInChI=1S/C19H18FNO5/c1-19(10-22,11-2-5-13(23)6-3-11)21-18(25)17-9-15(24)14-8-12(20)4-7-16(14)26-17/h2-8,17,22-23H,9-10H2,1H3,(H,21,25)
InChIKeyCAXVHWGDKQYHRA-UHFFFAOYSA-N
XLogP1.89
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide?
The IUPAC name of 6-fluoro-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide (CID 167882652) is 6-fluoro-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide is CC(CO)(NC(=O)C1CC(=O)c2cc(F)ccc2O1)c1ccc(O)cc1.
What is the InChIKey of 6-fluoro-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide?
The InChIKey is CAXVHWGDKQYHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO5/c1-19(10-22,11-2-5-13(23)6-3-11)21-18(25)17-9-15(24)14-8-12(20)4-7-16(14)26-17/h2-8,17,22-23H,9-10H2,1H3,(H,21,25).
What are the key properties of 6-fluoro-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide?
6-fluoro-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide has a molecular weight of 359.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide is sourced from PubChem (CID 167882652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).