5-[(4-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide

C13H14FN3O2 — CID 63584169

IUPAC5-[(4-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
SMILESCN(Cc1ccc(C(=O)NN)o1)c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O2/c1-17(10-4-2-9(14)3-5-10)8-11-6-7-12(19-11)13(18)16-15/h2-7H,8,15H2,1H3,(H,16,18)
InChIKeyVHRLVFMSYDPYIB-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.66
Rot. Bonds4

About 5-[(4-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide

5-[(4-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide (PubChem CID 63584169) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 5-[(4-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
PubChem CID63584169
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name5-[(4-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
SMILESCN(Cc1ccc(C(=O)NN)o1)c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O2/c1-17(10-4-2-9(14)3-5-10)8-11-6-7-12(19-11)13(18)16-15/h2-7H,8,15H2,1H3,(H,16,18)
InChIKeyVHRLVFMSYDPYIB-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'}

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Related Compounds

5-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63577746
5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
CID 63583297
5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide
CID 63584129
5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide
CID 63726556
5-[(N-ethyl-4-methylanilino)methyl]furan-2-carbohydrazide
CID 63585831
5-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide
CID 55214063
5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide
CID 63578022
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]furan-2-carbohydrazide
CID 55215009
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63578444
5-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-methylfuran-2-carbohydrazide
CID 63578453
5-[(4-ethyl-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63585313
4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide
CID 80734494

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(4-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide (CID 63584169) is 5-[(4-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(4-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(4-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide is CN(Cc1ccc(C(=O)NN)o1)c1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide?
The InChIKey is VHRLVFMSYDPYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-17(10-4-2-9(14)3-5-10)8-11-6-7-12(19-11)13(18)16-15/h2-7H,8,15H2,1H3,(H,16,18).
What are the key properties of 5-[(4-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide?
5-[(4-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-[(4-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63584169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).