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

C13H18FN3O2 — CID 107458428

IUPAC4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]benzohydrazide
SMILESCC1COCCN1Cc1cc(C(=O)NN)ccc1F
InChIInChI=1S/C13H18FN3O2/c1-9-8-19-5-4-17(9)7-11-6-10(13(18)16-15)2-3-12(11)14/h2-3,6,9H,4-5,7-8,15H2,1H3,(H,16,18)
InChIKeyJJLMPZYMWCTKOD-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.65
Rot. Bonds3

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

4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]benzohydrazide (PubChem CID 107458428) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]benzohydrazide
PubChem CID107458428
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]benzohydrazide
SMILESCC1COCCN1Cc1cc(C(=O)NN)ccc1F
InChIInChI=1S/C13H18FN3O2/c1-9-8-19-5-4-17(9)7-11-6-10(13(18)16-15)2-3-12(11)14/h2-3,6,9H,4-5,7-8,15H2,1H3,(H,16,18)
InChIKeyJJLMPZYMWCTKOD-UHFFFAOYSA-N
XLogP0.65
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

4-[(3-methylmorpholin-4-yl)methyl]benzohydrazide
CID 63574051
3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458460
3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-fluorobenzohydrazide
CID 107458745
3-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107459005
4-fluoro-3-[(2-propylpiperidin-1-yl)methyl]benzohydrazide
CID 107458723
3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458588
4-[[2-bromo-4-(hydrazinecarbonyl)phenyl]methyl]morpholine-3-carboxamide
CID 102774750
3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458852
4-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzohydrazide
CID 107459218
1-(2-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-2-one
CID 43796410
1-(4-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one
CID 43793076
(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 110292238

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]benzohydrazide?
The IUPAC name of 4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]benzohydrazide (CID 107458428) is 4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]benzohydrazide?
The canonical SMILES for 4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]benzohydrazide is CC1COCCN1Cc1cc(C(=O)NN)ccc1F.
What is the InChIKey of 4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]benzohydrazide?
The InChIKey is JJLMPZYMWCTKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-9-8-19-5-4-17(9)7-11-6-10(13(18)16-15)2-3-12(11)14/h2-3,6,9H,4-5,7-8,15H2,1H3,(H,16,18).
What are the key properties of 4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]benzohydrazide?
4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]benzohydrazide has a molecular weight of 267.30 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]benzohydrazide is sourced from PubChem (CID 107458428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).