4-fluoro-3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzohydrazide

C14H20FN3O3 — CID 107458771

IUPAC4-fluoro-3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzohydrazide
SMILESCC1CN(Cc2cc(C(=O)NN)ccc2F)CC(CO)O1
InChIInChI=1S/C14H20FN3O3/c1-9-5-18(7-12(8-19)21-9)6-11-4-10(14(20)17-16)2-3-13(11)15/h2-4,9,12,19H,5-8,16H2,1H3,(H,17,20)
InChIKeyRDAQMBFWOWNSFI-UHFFFAOYSA-N
MW297.33 g/mol
LogP0.01
Rot. Bonds4

About 4-fluoro-3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzohydrazide

4-fluoro-3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzohydrazide (PubChem CID 107458771) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is 4-fluoro-3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzohydrazide
PubChem CID107458771
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Name4-fluoro-3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzohydrazide
SMILESCC1CN(Cc2cc(C(=O)NN)ccc2F)CC(CO)O1
InChIInChI=1S/C14H20FN3O3/c1-9-5-18(7-12(8-19)21-9)6-11-4-10(14(20)17-16)2-3-13(11)15/h2-4,9,12,19H,5-8,16H2,1H3,(H,17,20)
InChIKeyRDAQMBFWOWNSFI-UHFFFAOYSA-N
XLogP0.01
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-fluoro-3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzohydrazide?
The IUPAC name of 4-fluoro-3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzohydrazide (CID 107458771) is 4-fluoro-3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzohydrazide?
The canonical SMILES for 4-fluoro-3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzohydrazide is CC1CN(Cc2cc(C(=O)NN)ccc2F)CC(CO)O1.
What is the InChIKey of 4-fluoro-3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzohydrazide?
The InChIKey is RDAQMBFWOWNSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3/c1-9-5-18(7-12(8-19)21-9)6-11-4-10(14(20)17-16)2-3-13(11)15/h2-4,9,12,19H,5-8,16H2,1H3,(H,17,20).
What are the key properties of 4-fluoro-3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzohydrazide?
4-fluoro-3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzohydrazide has a molecular weight of 297.33 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzohydrazide is sourced from PubChem (CID 107458771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).