4-(3-fluorophenoxy)-N'-(4-methoxypyrimidin-2-yl)butanehydrazide

C15H17FN4O3 — CID 60549753

IUPAC4-(3-fluorophenoxy)-N'-(4-methoxypyrimidin-2-yl)butanehydrazide
SMILESCOc1ccnc(NNC(=O)CCCOc2cccc(F)c2)n1
InChIInChI=1S/C15H17FN4O3/c1-22-14-7-8-17-15(18-14)20-19-13(21)6-3-9-23-12-5-2-4-11(16)10-12/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,19,21)(H,17,18,20)
InChIKeyPWGYGVNSSZSPOY-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.93
Rot. Bonds8

About 4-(3-fluorophenoxy)-N'-(4-methoxypyrimidin-2-yl)butanehydrazide

4-(3-fluorophenoxy)-N'-(4-methoxypyrimidin-2-yl)butanehydrazide (PubChem CID 60549753) has the molecular formula C15H17FN4O3 and a molecular weight of 320.32 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-N'-(4-methoxypyrimidin-2-yl)butanehydrazide.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-N'-(4-methoxypyrimidin-2-yl)butanehydrazide
PubChem CID60549753
Molecular FormulaC15H17FN4O3
Molecular Weight320.32 g/mol
Exact Mass320.13
IUPAC Name4-(3-fluorophenoxy)-N'-(4-methoxypyrimidin-2-yl)butanehydrazide
SMILESCOc1ccnc(NNC(=O)CCCOc2cccc(F)c2)n1
InChIInChI=1S/C15H17FN4O3/c1-22-14-7-8-17-15(18-14)20-19-13(21)6-3-9-23-12-5-2-4-11(16)10-12/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,19,21)(H,17,18,20)
InChIKeyPWGYGVNSSZSPOY-UHFFFAOYSA-N
XLogP1.93
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 4-(3-fluorophenoxy)-N'-(4-methoxypyrimidin-2-yl)butanehydrazide?
The IUPAC name of 4-(3-fluorophenoxy)-N'-(4-methoxypyrimidin-2-yl)butanehydrazide (CID 60549753) is 4-(3-fluorophenoxy)-N'-(4-methoxypyrimidin-2-yl)butanehydrazide.
What is the SMILES notation for 4-(3-fluorophenoxy)-N'-(4-methoxypyrimidin-2-yl)butanehydrazide?
The canonical SMILES for 4-(3-fluorophenoxy)-N'-(4-methoxypyrimidin-2-yl)butanehydrazide is COc1ccnc(NNC(=O)CCCOc2cccc(F)c2)n1.
What is the InChIKey of 4-(3-fluorophenoxy)-N'-(4-methoxypyrimidin-2-yl)butanehydrazide?
The InChIKey is PWGYGVNSSZSPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O3/c1-22-14-7-8-17-15(18-14)20-19-13(21)6-3-9-23-12-5-2-4-11(16)10-12/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,19,21)(H,17,18,20).
What are the key properties of 4-(3-fluorophenoxy)-N'-(4-methoxypyrimidin-2-yl)butanehydrazide?
4-(3-fluorophenoxy)-N'-(4-methoxypyrimidin-2-yl)butanehydrazide has a molecular weight of 320.32 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-N'-(4-methoxypyrimidin-2-yl)butanehydrazide is sourced from PubChem (CID 60549753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).