3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide

C11H16FN3O — CID 107458406

IUPAC3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide
SMILESCCN(C)Cc1cc(C(=O)NN)ccc1F
InChIInChI=1S/C11H16FN3O/c1-3-15(2)7-9-6-8(11(16)14-13)4-5-10(9)12/h4-6H,3,7,13H2,1-2H3,(H,14,16)
InChIKeyPJTDOPZHFPUFLC-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.88
Rot. Bonds4

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

3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide (PubChem CID 107458406) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound Name3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide
PubChem CID107458406
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide
SMILESCCN(C)Cc1cc(C(=O)NN)ccc1F
InChIInChI=1S/C11H16FN3O/c1-3-15(2)7-9-6-8(11(16)14-13)4-5-10(9)12/h4-6H,3,7,13H2,1-2H3,(H,14,16)
InChIKeyPJTDOPZHFPUFLC-UHFFFAOYSA-N
XLogP0.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide
CID 107458416
2-[ethyl-[[2-fluoro-5-(hydrazinecarbonyl)phenyl]methyl]amino]-N,N-dimethylacetamide
CID 107458547
3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458388
3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458423
3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide
CID 107458562
4-fluoro-3-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide
CID 107458527
4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide
CID 107458548
4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide
CID 63583693
3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458515
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458511
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-fluorobenzohydrazide
CID 107458448
3-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458520

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide?
The IUPAC name of 3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide (CID 107458406) is 3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide.
What is the SMILES notation for 3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide?
The canonical SMILES for 3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide is CCN(C)Cc1cc(C(=O)NN)ccc1F.
What is the InChIKey of 3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide?
The InChIKey is PJTDOPZHFPUFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-3-15(2)7-9-6-8(11(16)14-13)4-5-10(9)12/h4-6H,3,7,13H2,1-2H3,(H,14,16).
What are the key properties of 3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide?
3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide has a molecular weight of 225.27 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 107458406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).