5-[(4-fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide

C15H14FN3O2 — CID 82782626

IUPAC5-[(4-fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(Cn2ccc3c(F)cccc32)cc1C(=O)NN
InChIInChI=1S/C15H14FN3O2/c1-9-12(15(20)18-17)7-10(21-9)8-19-6-5-11-13(16)3-2-4-14(11)19/h2-7H,8,17H2,1H3,(H,18,20)
InChIKeyMIPHDBQRLZUFIN-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.33
Rot. Bonds3

About 5-[(4-fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide

5-[(4-fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide (PubChem CID 82782626) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-[(4-fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4-fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
PubChem CID82782626
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name5-[(4-fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(Cn2ccc3c(F)cccc32)cc1C(=O)NN
InChIInChI=1S/C15H14FN3O2/c1-9-12(15(20)18-17)7-10(21-9)8-19-6-5-11-13(16)3-2-4-14(11)19/h2-7H,8,17H2,1H3,(H,18,20)
InChIKeyMIPHDBQRLZUFIN-UHFFFAOYSA-N
XLogP2.33
TPSA73.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.33
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

N'-[(E)-1H-indol-3-ylmethylidene]-2,5-dimethylfuran-3-carbohydrazide
CID 135497938
2,5-dimethyl-N-[(2-methyl-1H-indol-3-yl)methylideneamino]furan-3-carboxamide
CID 1544230
N'-(1H-indol-3-ylmethylene)-2-methyl-3-furohydrazide
CID 135501779
tert-butyl N-[[4-[2-(5-fluoro-1H-indol-3-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate
CID 86817574
2-(6-fluoro-1H-indol-1-yl)-N-(2-furylmethyl)acetamide
CID 42537379
4-Fluoro-1-(furan-2-ylmethyl)indole
CID 82793891
6-Fluoro-1-(furan-2-ylmethyl)indole
CID 116619758
2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]furo[3,2-b]pyridine-3-carboxamide
CID 117910477
N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-methylfuran-3-carboxamide
CID 118335336
1-[[5-(Trifluoromethyl)furan-2-yl]methyl]indole
CID 141213576
2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]furo[3,2-b]pyridine-3-carboxamide
CID 141444569
N-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanamide
CID 154688041

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-[(4-fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide (CID 82782626) is 5-[(4-fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-[(4-fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-[(4-fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide is Cc1oc(Cn2ccc3c(F)cccc32)cc1C(=O)NN.
What is the InChIKey of 5-[(4-fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is MIPHDBQRLZUFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-9-12(15(20)18-17)7-10(21-9)8-19-6-5-11-13(16)3-2-4-14(11)19/h2-7H,8,17H2,1H3,(H,18,20).
What are the key properties of 5-[(4-fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
5-[(4-fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 287.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 82782626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).