2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide

C14H16FN3O2 — CID 63577745

IUPAC2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
SMILESCN(Cc1ccc(F)cc1)Cc1occc1C(=O)NN
InChIInChI=1S/C14H16FN3O2/c1-18(8-10-2-4-11(15)5-3-10)9-13-12(6-7-20-13)14(19)17-16/h2-7H,8-9,16H2,1H3,(H,17,19)
InChIKeyQVGWUDAMUQQHHJ-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.65
Rot. Bonds5

About 2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide

2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide (PubChem CID 63577745) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
PubChem CID63577745
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
SMILESCN(Cc1ccc(F)cc1)Cc1occc1C(=O)NN
InChIInChI=1S/C14H16FN3O2/c1-18(8-10-2-4-11(15)5-3-10)9-13-12(6-7-20-13)14(19)17-16/h2-7H,8-9,16H2,1H3,(H,17,19)
InChIKeyQVGWUDAMUQQHHJ-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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Related Compounds

2-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide
CID 63568687
2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
CID 63584190
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63579482
2-[[methyl(pentyl)amino]methyl]furan-3-carbohydrazide
CID 63573089
2-(diethylaminomethyl)furan-3-carbohydrazide
CID 63570482
5-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63577746
2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide
CID 63573677
2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide
CID 63569034
N-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine
CID 62413581
5-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-methylfuran-2-carbohydrazide
CID 63578453
methyl 2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]furan-3-carboxylate
CID 78836764
4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 47129744

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide (CID 63577745) is 2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide is CN(Cc1ccc(F)cc1)Cc1occc1C(=O)NN.
What is the InChIKey of 2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide?
The InChIKey is QVGWUDAMUQQHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-18(8-10-2-4-11(15)5-3-10)9-13-12(6-7-20-13)14(19)17-16/h2-7H,8-9,16H2,1H3,(H,17,19).
What are the key properties of 2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide?
2-[[(4-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 2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63577745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).