2-[1-[(2,6-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide

C19H19Cl2N3O2 — CID 10548513

IUPAC2-[1-[(2,6-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide
SMILESCOc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1c(Cl)cccc1Cl
InChIInChI=1S/C19H19Cl2N3O2/c1-11-13(9-19(25)23-22)14-8-12(26-2)6-7-18(14)24(11)10-15-16(20)4-3-5-17(15)21/h3-8H,9-10,22H2,1-2H3,(H,23,25)
InChIKeyTUQFTYUDAZQQRD-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.85
Rot. Bonds5

About 2-[1-[(2,6-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide

2-[1-[(2,6-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide (PubChem CID 10548513) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-[1-[(2,6-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide.

Molecular Properties

Compound Name2-[1-[(2,6-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide
PubChem CID10548513
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name2-[1-[(2,6-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide
SMILESCOc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1c(Cl)cccc1Cl
InChIInChI=1S/C19H19Cl2N3O2/c1-11-13(9-19(25)23-22)14-8-12(26-2)6-7-18(14)24(11)10-15-16(20)4-3-5-17(15)21/h3-8H,9-10,22H2,1-2H3,(H,23,25)
InChIKeyTUQFTYUDAZQQRD-UHFFFAOYSA-N
XLogP3.85
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'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-[1-[(2,6-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide?
The IUPAC name of 2-[1-[(2,6-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide (CID 10548513) is 2-[1-[(2,6-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide.
What is the SMILES notation for 2-[1-[(2,6-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide?
The canonical SMILES for 2-[1-[(2,6-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide is COc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[1-[(2,6-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide?
The InChIKey is TUQFTYUDAZQQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-11-13(9-19(25)23-22)14-8-12(26-2)6-7-18(14)24(11)10-15-16(20)4-3-5-17(15)21/h3-8H,9-10,22H2,1-2H3,(H,23,25).
What are the key properties of 2-[1-[(2,6-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide?
2-[1-[(2,6-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide has a molecular weight of 392.29 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,6-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide is sourced from PubChem (CID 10548513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).