6-(4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

C16H14FNO3 — CID 163392730

IUPAC6-(4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NO)C1CCc2cc(-c3ccc(F)cc3)ccc2O1
InChIInChI=1S/C16H14FNO3/c17-13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21-14)16(19)18-20/h1-3,5-7,9,15,20H,4,8H2,(H,18,19)
InChIKeyQZLYJHLMEWDKAZ-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.69
Rot. Bonds2

About 6-(4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

6-(4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 163392730) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID163392730
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name6-(4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NO)C1CCc2cc(-c3ccc(F)cc3)ccc2O1
InChIInChI=1S/C16H14FNO3/c17-13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21-14)16(19)18-20/h1-3,5-7,9,15,20H,4,8H2,(H,18,19)
InChIKeyQZLYJHLMEWDKAZ-UHFFFAOYSA-N
XLogP2.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (CID 163392730) is 6-(4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NO)C1CCc2cc(-c3ccc(F)cc3)ccc2O1.
What is the InChIKey of 6-(4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is QZLYJHLMEWDKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21-14)16(19)18-20/h1-3,5-7,9,15,20H,4,8H2,(H,18,19).
What are the key properties of 6-(4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
6-(4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 163392730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).