5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]furan-3-carbohydrazide

C15H18FN3O2 — CID 63573795

IUPAC5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]furan-3-carbohydrazide
SMILESCC(c1ccccc1F)N(C)Cc1cc(C(=O)NN)co1
InChIInChI=1S/C15H18FN3O2/c1-10(13-5-3-4-6-14(13)16)19(2)8-12-7-11(9-21-12)15(20)18-17/h3-7,9-10H,8,17H2,1-2H3,(H,18,20)
InChIKeyKOQQFBOVWGJPMH-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.22
Rot. Bonds5

About 5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]furan-3-carbohydrazide

5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]furan-3-carbohydrazide (PubChem CID 63573795) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]furan-3-carbohydrazide
PubChem CID63573795
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]furan-3-carbohydrazide
SMILESCC(c1ccccc1F)N(C)Cc1cc(C(=O)NN)co1
InChIInChI=1S/C15H18FN3O2/c1-10(13-5-3-4-6-14(13)16)19(2)8-12-7-11(9-21-12)15(20)18-17/h3-7,9-10H,8,17H2,1-2H3,(H,18,20)
InChIKeyKOQQFBOVWGJPMH-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
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-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]furan-3-carbohydrazide (CID 63573795) is 5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]furan-3-carbohydrazide is CC(c1ccccc1F)N(C)Cc1cc(C(=O)NN)co1.
What is the InChIKey of 5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]furan-3-carbohydrazide?
The InChIKey is KOQQFBOVWGJPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-10(13-5-3-4-6-14(13)16)19(2)8-12-7-11(9-21-12)15(20)18-17/h3-7,9-10H,8,17H2,1-2H3,(H,18,20).
What are the key properties of 5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]furan-3-carbohydrazide?
5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]furan-3-carbohydrazide has a molecular weight of 291.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63573795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).