3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide

C14H18FN3O — CID 107458423

IUPAC3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide
SMILESC=CCN(CC=C)Cc1cc(C(=O)NN)ccc1F
InChIInChI=1S/C14H18FN3O/c1-3-7-18(8-4-2)10-12-9-11(14(19)17-16)5-6-13(12)15/h3-6,9H,1-2,7-8,10,16H2,(H,17,19)
InChIKeyABTLNPOSSZAYRQ-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.60
Rot. Bonds7

About 3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide

3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide (PubChem CID 107458423) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound Name3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide
PubChem CID107458423
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide
SMILESC=CCN(CC=C)Cc1cc(C(=O)NN)ccc1F
InChIInChI=1S/C14H18FN3O/c1-3-7-18(8-4-2)10-12-9-11(14(19)17-16)5-6-13(12)15/h3-6,9H,1-2,7-8,10,16H2,(H,17,19)
InChIKeyABTLNPOSSZAYRQ-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.60
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458406
3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458388
4-fluoro-3-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide
CID 107458527
2-[ethyl-[[2-fluoro-5-(hydrazinecarbonyl)phenyl]methyl]amino]-N,N-dimethylacetamide
CID 107458547
3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458515
4-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide
CID 107458416
3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide
CID 63571598
4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide
CID 107458548
3-cyano-4-fluorobenzohydrazide
CID 59234832
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458511
3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide
CID 107458562
3-amino-4-fluorobenzohydrazide;hydrochloride
CID 131133629

Frequently Asked Questions

What is the IUPAC name of 3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide?
The IUPAC name of 3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide (CID 107458423) is 3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide.
What is the SMILES notation for 3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide?
The canonical SMILES for 3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide is C=CCN(CC=C)Cc1cc(C(=O)NN)ccc1F.
What is the InChIKey of 3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide?
The InChIKey is ABTLNPOSSZAYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-3-7-18(8-4-2)10-12-9-11(14(19)17-16)5-6-13(12)15/h3-6,9H,1-2,7-8,10,16H2,(H,17,19).
What are the key properties of 3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide?
3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide has a molecular weight of 263.32 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 107458423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).