5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide

C13H14FN3O2 — CID 63583297

IUPAC5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
SMILESCN(Cc1ccc(C(=O)NN)o1)c1cccc(F)c1
InChIInChI=1S/C13H14FN3O2/c1-17(10-4-2-3-9(14)7-10)8-11-5-6-12(19-11)13(18)16-15/h2-7H,8,15H2,1H3,(H,16,18)
InChIKeyKQJHGSXVHPJPCA-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.66
Rot. Bonds4

About 5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide

5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide (PubChem CID 63583297) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
PubChem CID63583297
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
SMILESCN(Cc1ccc(C(=O)NN)o1)c1cccc(F)c1
InChIInChI=1S/C13H14FN3O2/c1-17(10-4-2-3-9(14)7-10)8-11-5-6-12(19-11)13(18)16-15/h2-7H,8,15H2,1H3,(H,16,18)
InChIKeyKQJHGSXVHPJPCA-UHFFFAOYSA-N
XLogP1.66
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.66
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'}

Analyze 5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide 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

5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide
CID 63584129
5-[(4-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
CID 63584169
3-fluoro-N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62435483
5-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63577746
5-[(3-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 63583474
4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide
CID 107458548
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63578444
4-[(N,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide
CID 63585085
5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63585765
3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide
CID 79631069
5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide
CID 63726556
5-(3-fluoro-N-methylanilino)pentanehydrazide
CID 63583475

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide (CID 63583297) is 5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide is CN(Cc1ccc(C(=O)NN)o1)c1cccc(F)c1.
What is the InChIKey of 5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide?
The InChIKey is KQJHGSXVHPJPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-17(10-4-2-3-9(14)7-10)8-11-5-6-12(19-11)13(18)16-15/h2-7H,8,15H2,1H3,(H,16,18).
What are the key properties of 5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide?
5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide has a molecular weight of 263.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63583297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).