2-[(4-fluoroindol-1-yl)methyl]furan-3-carbohydrazide

C14H12FN3O2 — CID 82791544

IUPAC2-[(4-fluoroindol-1-yl)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1Cn1ccc2c(F)cccc21
InChIInChI=1S/C14H12FN3O2/c15-11-2-1-3-12-9(11)4-6-18(12)8-13-10(5-7-20-13)14(19)17-16/h1-7H,8,16H2,(H,17,19)
InChIKeyGUXZXTXKPYDYMG-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.03
Rot. Bonds3

About 2-[(4-fluoroindol-1-yl)methyl]furan-3-carbohydrazide

2-[(4-fluoroindol-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 82791544) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 2-[(4-fluoroindol-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(4-fluoroindol-1-yl)methyl]furan-3-carbohydrazide
PubChem CID82791544
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name2-[(4-fluoroindol-1-yl)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1Cn1ccc2c(F)cccc21
InChIInChI=1S/C14H12FN3O2/c15-11-2-1-3-12-9(11)4-6-18(12)8-13-10(5-7-20-13)14(19)17-16/h1-7H,8,16H2,(H,17,19)
InChIKeyGUXZXTXKPYDYMG-UHFFFAOYSA-N
XLogP2.03
TPSA73.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.03
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 2-[(4-fluoroindol-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(4-fluoroindol-1-yl)methyl]furan-3-carbohydrazide (CID 82791544) is 2-[(4-fluoroindol-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(4-fluoroindol-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(4-fluoroindol-1-yl)methyl]furan-3-carbohydrazide is NNC(=O)c1ccoc1Cn1ccc2c(F)cccc21.
What is the InChIKey of 2-[(4-fluoroindol-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is GUXZXTXKPYDYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c15-11-2-1-3-12-9(11)4-6-18(12)8-13-10(5-7-20-13)14(19)17-16/h1-7H,8,16H2,(H,17,19).
What are the key properties of 2-[(4-fluoroindol-1-yl)methyl]furan-3-carbohydrazide?
2-[(4-fluoroindol-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 273.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoroindol-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 82791544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).