3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide

C15H22FN3O2 — CID 107458511

IUPAC3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide
SMILESCCN(Cc1cc(C(=O)NN)ccc1F)CC1CCCO1
InChIInChI=1S/C15H22FN3O2/c1-2-19(10-13-4-3-7-21-13)9-12-8-11(15(20)18-17)5-6-14(12)16/h5-6,8,13H,2-4,7,9-10,17H2,1H3,(H,18,20)
InChIKeyGDCUVYGXLFBVAK-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.43
Rot. Bonds6

About 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide

3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide (PubChem CID 107458511) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound Name3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide
PubChem CID107458511
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide
SMILESCCN(Cc1cc(C(=O)NN)ccc1F)CC1CCCO1
InChIInChI=1S/C15H22FN3O2/c1-2-19(10-13-4-3-7-21-13)9-12-8-11(15(20)18-17)5-6-14(12)16/h5-6,8,13H,2-4,7,9-10,17H2,1H3,(H,18,20)
InChIKeyGDCUVYGXLFBVAK-UHFFFAOYSA-N
XLogP1.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.43
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

5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-fluorobenzoic acid
CID 107880699
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline
CID 61433507
3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458388
2-[ethyl-[[2-fluoro-5-(hydrazinecarbonyl)phenyl]methyl]amino]-N,N-dimethylacetamide
CID 107458547
3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458406
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107879246
N-[(2-bromo-4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 47646762
methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate
CID 82969495
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62431237
3-chloro-4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 102667814
methyl 3-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 78964080
3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458423

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide?
The IUPAC name of 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide (CID 107458511) is 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide.
What is the SMILES notation for 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide?
The canonical SMILES for 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide is CCN(Cc1cc(C(=O)NN)ccc1F)CC1CCCO1.
What is the InChIKey of 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide?
The InChIKey is GDCUVYGXLFBVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-2-19(10-13-4-3-7-21-13)9-12-8-11(15(20)18-17)5-6-14(12)16/h5-6,8,13H,2-4,7,9-10,17H2,1H3,(H,18,20).
What are the key properties of 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide?
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide has a molecular weight of 295.36 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 107458511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).