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

C13H18FN3O3 — CID 107458708

IUPAC4-fluoro-3-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzohydrazide
SMILESNNC(=O)c1ccc(F)c(CN2CCOC(CO)C2)c1
InChIInChI=1S/C13H18FN3O3/c14-12-2-1-9(13(19)16-15)5-10(12)6-17-3-4-20-11(7-17)8-18/h1-2,5,11,18H,3-4,6-8,15H2,(H,16,19)
InChIKeySHSOVIXMOXYGAJ-UHFFFAOYSA-N
MW283.30 g/mol
LogP-0.38
Rot. Bonds4

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

4-fluoro-3-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzohydrazide (PubChem CID 107458708) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 4-fluoro-3-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-3-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzohydrazide
PubChem CID107458708
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name4-fluoro-3-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzohydrazide
SMILESNNC(=O)c1ccc(F)c(CN2CCOC(CO)C2)c1
InChIInChI=1S/C13H18FN3O3/c14-12-2-1-9(13(19)16-15)5-10(12)6-17-3-4-20-11(7-17)8-18/h1-2,5,11,18H,3-4,6-8,15H2,(H,16,19)
InChIKeySHSOVIXMOXYGAJ-UHFFFAOYSA-N
XLogP-0.38
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 5-0.38
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)morpholin-4-yl]methyl]benzohydrazide?
The IUPAC name of 4-fluoro-3-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzohydrazide (CID 107458708) is 4-fluoro-3-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-3-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzohydrazide?
The canonical SMILES for 4-fluoro-3-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzohydrazide is NNC(=O)c1ccc(F)c(CN2CCOC(CO)C2)c1.
What is the InChIKey of 4-fluoro-3-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzohydrazide?
The InChIKey is SHSOVIXMOXYGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c14-12-2-1-9(13(19)16-15)5-10(12)6-17-3-4-20-11(7-17)8-18/h1-2,5,11,18H,3-4,6-8,15H2,(H,16,19).
What are the key properties of 4-fluoro-3-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzohydrazide?
4-fluoro-3-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzohydrazide has a molecular weight of 283.30 g/mol, XLogP of -0.38, 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)morpholin-4-yl]methyl]benzohydrazide is sourced from PubChem (CID 107458708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).