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

C15H14ClN3O2 — CID 63578350

IUPAC5-[(3-chloroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(Cn2cc(Cl)c3ccccc32)cc1C(=O)NN
InChIInChI=1S/C15H14ClN3O2/c1-9-12(15(20)18-17)6-10(21-9)7-19-8-13(16)11-4-2-3-5-14(11)19/h2-6,8H,7,17H2,1H3,(H,18,20)
InChIKeyMLRPRANJGSZARE-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.85
Rot. Bonds3

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

5-[(3-chloroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide (PubChem CID 63578350) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 5-[(3-chloroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-[(3-chloroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
PubChem CID63578350
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name5-[(3-chloroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(Cn2cc(Cl)c3ccccc32)cc1C(=O)NN
InChIInChI=1S/C15H14ClN3O2/c1-9-12(15(20)18-17)6-10(21-9)7-19-8-13(16)11-4-2-3-5-14(11)19/h2-6,8H,7,17H2,1H3,(H,18,20)
InChIKeyMLRPRANJGSZARE-UHFFFAOYSA-N
XLogP2.85
TPSA73.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.85
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-chloroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-[(3-chloroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide (CID 63578350) is 5-[(3-chloroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-[(3-chloroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-[(3-chloroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide is Cc1oc(Cn2cc(Cl)c3ccccc32)cc1C(=O)NN.
What is the InChIKey of 5-[(3-chloroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is MLRPRANJGSZARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-9-12(15(20)18-17)6-10(21-9)7-19-8-13(16)11-4-2-3-5-14(11)19/h2-6,8H,7,17H2,1H3,(H,18,20).
What are the key properties of 5-[(3-chloroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
5-[(3-chloroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 303.75 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 63578350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).