N-benzyl-5-methoxy-3-methyl-1H-indole-2-carboxamide;hydrochloride

C18H19ClN2O2 — CID 24747857

IUPACN-benzyl-5-methoxy-3-methyl-1H-indole-2-carboxamide;hydrochloride
SMILESCOc1ccc2[nH]c(C(=O)NCc3ccccc3)c(C)c2c1.Cl
InChIInChI=1S/C18H18N2O2.ClH/c1-12-15-10-14(22-2)8-9-16(15)20-17(12)18(21)19-11-13-6-4-3-5-7-13;/h3-10,20H,11H2,1-2H3,(H,19,21);1H
InChIKeyGBZOYHHTRXRCLD-UHFFFAOYSA-N
MW330.81 g/mol
LogP3.84
Rot. Bonds4

About N-benzyl-5-methoxy-3-methyl-1H-indole-2-carboxamide;hydrochloride

N-benzyl-5-methoxy-3-methyl-1H-indole-2-carboxamide;hydrochloride (PubChem CID 24747857) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is N-benzyl-5-methoxy-3-methyl-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-5-methoxy-3-methyl-1H-indole-2-carboxamide;hydrochloride
PubChem CID24747857
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC NameN-benzyl-5-methoxy-3-methyl-1H-indole-2-carboxamide;hydrochloride
SMILESCOc1ccc2[nH]c(C(=O)NCc3ccccc3)c(C)c2c1.Cl
InChIInChI=1S/C18H18N2O2.ClH/c1-12-15-10-14(22-2)8-9-16(15)20-17(12)18(21)19-11-13-6-4-3-5-7-13;/h3-10,20H,11H2,1-2H3,(H,19,21);1H
InChIKeyGBZOYHHTRXRCLD-UHFFFAOYSA-N
XLogP3.84
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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Go 6983
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Asp-9521
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Iik7
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methoxy-3-methyl-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-benzyl-5-methoxy-3-methyl-1H-indole-2-carboxamide;hydrochloride (CID 24747857) is N-benzyl-5-methoxy-3-methyl-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-benzyl-5-methoxy-3-methyl-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-benzyl-5-methoxy-3-methyl-1H-indole-2-carboxamide;hydrochloride is COc1ccc2[nH]c(C(=O)NCc3ccccc3)c(C)c2c1.Cl.
What is the InChIKey of N-benzyl-5-methoxy-3-methyl-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is GBZOYHHTRXRCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2.ClH/c1-12-15-10-14(22-2)8-9-16(15)20-17(12)18(21)19-11-13-6-4-3-5-7-13;/h3-10,20H,11H2,1-2H3,(H,19,21);1H.
What are the key properties of N-benzyl-5-methoxy-3-methyl-1H-indole-2-carboxamide;hydrochloride?
N-benzyl-5-methoxy-3-methyl-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 330.81 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methoxy-3-methyl-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 24747857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).