N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride

C18H19ClN2O3 — CID 44664335

IUPACN-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride
SMILESCOc1cc2cc(C(=O)NCc3ccccc3)[nH]c2cc1OC.Cl
InChIInChI=1S/C18H18N2O3.ClH/c1-22-16-9-13-8-15(20-14(13)10-17(16)23-2)18(21)19-11-12-6-4-3-5-7-12;/h3-10,20H,11H2,1-2H3,(H,19,21);1H
InChIKeyJRMHVCYCTYHOKA-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.54
Rot. Bonds5

About N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride

N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride (PubChem CID 44664335) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride
PubChem CID44664335
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride
SMILESCOc1cc2cc(C(=O)NCc3ccccc3)[nH]c2cc1OC.Cl
InChIInChI=1S/C18H18N2O3.ClH/c1-22-16-9-13-8-15(20-14(13)10-17(16)23-2)18(21)19-11-12-6-4-3-5-7-12;/h3-10,20H,11H2,1-2H3,(H,19,21);1H
InChIKeyJRMHVCYCTYHOKA-UHFFFAOYSA-N
XLogP3.54
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dimethoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 7678004
methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]acetate;hydrochloride
CID 44663549
N-(1-hydroxy-3-phenylpropan-2-yl)-5,6-dimethoxy-1H-indole-2-carboxamide
CID 162970638
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
6-methoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55694524
N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9483409
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide
CID 113207316
methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate
CID 129094981
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 113207547
N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9270219
3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]urea
CID 1437384

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride (CID 44664335) is N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride is COc1cc2cc(C(=O)NCc3ccccc3)[nH]c2cc1OC.Cl.
What is the InChIKey of N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is JRMHVCYCTYHOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3.ClH/c1-22-16-9-13-8-15(20-14(13)10-17(16)23-2)18(21)19-11-12-6-4-3-5-7-12;/h3-10,20H,11H2,1-2H3,(H,19,21);1H.
What are the key properties of N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride?
N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 346.81 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 44664335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).