5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide

C15H18FN3O2 — CID 63571175

IUPAC5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CN(C)Cc2cccc(F)c2)cc1C(=O)NN
InChIInChI=1S/C15H18FN3O2/c1-10-14(15(20)18-17)7-13(21-10)9-19(2)8-11-4-3-5-12(16)6-11/h3-7H,8-9,17H2,1-2H3,(H,18,20)
InChIKeyFQNYGEZFIXDQBA-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.96
Rot. Bonds5

About 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide

5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide (PubChem CID 63571175) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide
PubChem CID63571175
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CN(C)Cc2cccc(F)c2)cc1C(=O)NN
InChIInChI=1S/C15H18FN3O2/c1-10-14(15(20)18-17)7-13(21-10)9-19(2)8-11-4-3-5-12(16)6-11/h3-7H,8-9,17H2,1-2H3,(H,18,20)
InChIKeyFQNYGEZFIXDQBA-UHFFFAOYSA-N
XLogP1.96
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.96
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]-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide (CID 63571175) is 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide is Cc1oc(CN(C)Cc2cccc(F)c2)cc1C(=O)NN.
What is the InChIKey of 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is FQNYGEZFIXDQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-10-14(15(20)18-17)7-13(21-10)9-19(2)8-11-4-3-5-12(16)6-11/h3-7H,8-9,17H2,1-2H3,(H,18,20).
What are the key properties of 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide?
5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 291.33 g/mol, XLogP of 1.96, 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]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 63571175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).