6-[3-(4-fluorophenoxy)propyl]-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

C19H20FNO4 — CID 163392692

IUPAC6-[3-(4-fluorophenoxy)propyl]-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NO)C1CCc2cc(CCCOc3ccc(F)cc3)ccc2O1
InChIInChI=1S/C19H20FNO4/c20-15-5-7-16(8-6-15)24-11-1-2-13-3-9-17-14(12-13)4-10-18(25-17)19(22)21-23/h3,5-9,12,18,23H,1-2,4,10-11H2,(H,21,22)
InChIKeyZCAIJEDWCWSDRQ-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.04
Rot. Bonds6

About 6-[3-(4-fluorophenoxy)propyl]-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

6-[3-(4-fluorophenoxy)propyl]-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 163392692) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is 6-[3-(4-fluorophenoxy)propyl]-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name6-[3-(4-fluorophenoxy)propyl]-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID163392692
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name6-[3-(4-fluorophenoxy)propyl]-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NO)C1CCc2cc(CCCOc3ccc(F)cc3)ccc2O1
InChIInChI=1S/C19H20FNO4/c20-15-5-7-16(8-6-15)24-11-1-2-13-3-9-17-14(12-13)4-10-18(25-17)19(22)21-23/h3,5-9,12,18,23H,1-2,4,10-11H2,(H,21,22)
InChIKeyZCAIJEDWCWSDRQ-UHFFFAOYSA-N
XLogP3.04
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[3-(4-fluorophenoxy)propyl]-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of 6-[3-(4-fluorophenoxy)propyl]-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (CID 163392692) is 6-[3-(4-fluorophenoxy)propyl]-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for 6-[3-(4-fluorophenoxy)propyl]-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for 6-[3-(4-fluorophenoxy)propyl]-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NO)C1CCc2cc(CCCOc3ccc(F)cc3)ccc2O1.
What is the InChIKey of 6-[3-(4-fluorophenoxy)propyl]-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is ZCAIJEDWCWSDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c20-15-5-7-16(8-6-15)24-11-1-2-13-3-9-17-14(12-13)4-10-18(25-17)19(22)21-23/h3,5-9,12,18,23H,1-2,4,10-11H2,(H,21,22).
What are the key properties of 6-[3-(4-fluorophenoxy)propyl]-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
6-[3-(4-fluorophenoxy)propyl]-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluorophenoxy)propyl]-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 163392692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).