5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide

C14H16FN3O2 — CID 63571176

IUPAC5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
SMILESCN(Cc1cccc(F)c1)Cc1cc(C(=O)NN)co1
InChIInChI=1S/C14H16FN3O2/c1-18(7-10-3-2-4-12(15)5-10)8-13-6-11(9-20-13)14(19)17-16/h2-6,9H,7-8,16H2,1H3,(H,17,19)
InChIKeyUPDGJHVHZDOJPF-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.65
Rot. Bonds5

About 5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide

5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide (PubChem CID 63571176) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
PubChem CID63571176
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
SMILESCN(Cc1cccc(F)c1)Cc1cc(C(=O)NN)co1
InChIInChI=1S/C14H16FN3O2/c1-18(7-10-3-2-4-12(15)5-10)8-13-6-11(9-20-13)14(19)17-16/h2-6,9H,7-8,16H2,1H3,(H,17,19)
InChIKeyUPDGJHVHZDOJPF-UHFFFAOYSA-N
XLogP1.65
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of 5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide (CID 63571176) is 5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide is CN(Cc1cccc(F)c1)Cc1cc(C(=O)NN)co1.
What is the InChIKey of 5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide?
The InChIKey is UPDGJHVHZDOJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-18(7-10-3-2-4-12(15)5-10)8-13-6-11(9-20-13)14(19)17-16/h2-6,9H,7-8,16H2,1H3,(H,17,19).
What are the key properties of 5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide?
5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide has a molecular weight of 277.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63571176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).