5-[(4,6-dichloroindol-1-yl)methyl]furan-3-carbohydrazide

C14H11Cl2N3O2 — CID 103428139

IUPAC5-[(4,6-dichloroindol-1-yl)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(Cn2ccc3c(Cl)cc(Cl)cc32)c1
InChIInChI=1S/C14H11Cl2N3O2/c15-9-4-12(16)11-1-2-19(13(11)5-9)6-10-3-8(7-21-10)14(20)18-17/h1-5,7H,6,17H2,(H,18,20)
InChIKeyIRSQQYYOGBSKMH-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.19
Rot. Bonds3

About 5-[(4,6-dichloroindol-1-yl)methyl]furan-3-carbohydrazide

5-[(4,6-dichloroindol-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 103428139) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 5-[(4,6-dichloroindol-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4,6-dichloroindol-1-yl)methyl]furan-3-carbohydrazide
PubChem CID103428139
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name5-[(4,6-dichloroindol-1-yl)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(Cn2ccc3c(Cl)cc(Cl)cc32)c1
InChIInChI=1S/C14H11Cl2N3O2/c15-9-4-12(16)11-1-2-19(13(11)5-9)6-10-3-8(7-21-10)14(20)18-17/h1-5,7H,6,17H2,(H,18,20)
InChIKeyIRSQQYYOGBSKMH-UHFFFAOYSA-N
XLogP3.19
TPSA73.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.19
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'}

Analyze 5-[(4,6-dichloroindol-1-yl)methyl]furan-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(7-chloroindol-1-yl)methyl]furan-3-carbohydrazide
CID 103474683
5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide
CID 63575773
6-(4,6-dichloroindol-1-yl)hexanehydrazide
CID 103428130
5-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
CID 63579417
5-[(5-chloroindol-1-yl)methyl]furan-3-carboxylic acid
CID 63880239
5-[(4,6-dichloroindol-1-yl)methyl]thiophene-2-carboxylic acid
CID 103427747
4,6-dichloro-1-[(5-methylfuran-2-yl)methyl]indole
CID 103428232
2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 103427962
5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide
CID 63579908
4,6-dichloro-1-[(2,6-dichlorophenyl)methyl]indole
CID 103428456
5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 63571860
5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580476

Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-dichloroindol-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(4,6-dichloroindol-1-yl)methyl]furan-3-carbohydrazide (CID 103428139) is 5-[(4,6-dichloroindol-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(4,6-dichloroindol-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(4,6-dichloroindol-1-yl)methyl]furan-3-carbohydrazide is NNC(=O)c1coc(Cn2ccc3c(Cl)cc(Cl)cc32)c1.
What is the InChIKey of 5-[(4,6-dichloroindol-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is IRSQQYYOGBSKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c15-9-4-12(16)11-1-2-19(13(11)5-9)6-10-3-8(7-21-10)14(20)18-17/h1-5,7H,6,17H2,(H,18,20).
What are the key properties of 5-[(4,6-dichloroindol-1-yl)methyl]furan-3-carbohydrazide?
5-[(4,6-dichloroindol-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 324.17 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,6-dichloroindol-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 103428139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).