4-fluoro-3-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide

C13H20FN3O2 — CID 107458527

IUPAC4-fluoro-3-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide
SMILESCCCN(CCO)Cc1cc(C(=O)NN)ccc1F
InChIInChI=1S/C13H20FN3O2/c1-2-5-17(6-7-18)9-11-8-10(13(19)16-15)3-4-12(11)14/h3-4,8,18H,2,5-7,9,15H2,1H3,(H,16,19)
InChIKeyKBNBKOADFJVGIE-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.63
Rot. Bonds7

About 4-fluoro-3-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide

4-fluoro-3-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide (PubChem CID 107458527) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-fluoro-3-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-3-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide
PubChem CID107458527
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name4-fluoro-3-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide
SMILESCCCN(CCO)Cc1cc(C(=O)NN)ccc1F
InChIInChI=1S/C13H20FN3O2/c1-2-5-17(6-7-18)9-11-8-10(13(19)16-15)3-4-12(11)14/h3-4,8,18H,2,5-7,9,15H2,1H3,(H,16,19)
InChIKeyKBNBKOADFJVGIE-UHFFFAOYSA-N
XLogP0.63
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.63
H-Bond Donors ≤ 53
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

3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458515
3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458388
3-[[bis(2-hydroxyethyl)amino]methyl]-4-fluorobenzamide
CID 62020933
3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458406
2-[ethyl-[[2-fluoro-5-(hydrazinecarbonyl)phenyl]methyl]amino]-N,N-dimethylacetamide
CID 107458547
4-[[bis(2-hydroxyethyl)amino]methyl]-3-bromobenzohydrazide
CID 102774570
3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458423
3-[[bis(2-hydroxyethyl)amino]methyl]-4-fluorobenzenecarbothioamide
CID 61235792
4-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide
CID 107458416
3-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-4-fluorobenzoic acid
CID 107452233
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458511
4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 63572832

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide?
The IUPAC name of 4-fluoro-3-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide (CID 107458527) is 4-fluoro-3-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-3-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide?
The canonical SMILES for 4-fluoro-3-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide is CCCN(CCO)Cc1cc(C(=O)NN)ccc1F.
What is the InChIKey of 4-fluoro-3-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide?
The InChIKey is KBNBKOADFJVGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-2-5-17(6-7-18)9-11-8-10(13(19)16-15)3-4-12(11)14/h3-4,8,18H,2,5-7,9,15H2,1H3,(H,16,19).
What are the key properties of 4-fluoro-3-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide?
4-fluoro-3-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide has a molecular weight of 269.32 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide is sourced from PubChem (CID 107458527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).