N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide

C20H21BrN2O4 — CID 60610770

IUPACN-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)NCc3cc(Br)c(OC)c(OC)c3)c2c1
InChIInChI=1S/C20H21BrN2O4/c1-25-14-4-5-17-15(9-14)13(11-22-17)8-19(24)23-10-12-6-16(21)20(27-3)18(7-12)26-2/h4-7,9,11,22H,8,10H2,1-3H3,(H,23,24)
InChIKeyZBEWSNPQTUBCAG-UHFFFAOYSA-N
MW433.30 g/mol
LogP3.82
Rot. Bonds7

About N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide

N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide (PubChem CID 60610770) has the molecular formula C20H21BrN2O4 and a molecular weight of 433.30 g/mol. Its IUPAC name is N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
PubChem CID60610770
Molecular FormulaC20H21BrN2O4
Molecular Weight433.30 g/mol
Exact Mass432.07
IUPAC NameN-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)NCc3cc(Br)c(OC)c(OC)c3)c2c1
InChIInChI=1S/C20H21BrN2O4/c1-25-14-4-5-17-15(9-14)13(11-22-17)8-19(24)23-10-12-6-16(21)20(27-3)18(7-12)26-2/h4-7,9,11,22H,8,10H2,1-3H3,(H,23,24)
InChIKeyZBEWSNPQTUBCAG-UHFFFAOYSA-N
XLogP3.82
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 113209591
N-(3-hydroxybutyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 111433362
N-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 60614816
(2R)-2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 51987730
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
N-(4-bromophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209668
N-[(2R)-2-hydroxy-3-phenylpropyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 95598350
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78873467
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
2-(5-methoxy-1H-indol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]acetamide
CID 139003508

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide (CID 60610770) is N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide is COc1ccc2[nH]cc(CC(=O)NCc3cc(Br)c(OC)c(OC)c3)c2c1.
What is the InChIKey of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
The InChIKey is ZBEWSNPQTUBCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O4/c1-25-14-4-5-17-15(9-14)13(11-22-17)8-19(24)23-10-12-6-16(21)20(27-3)18(7-12)26-2/h4-7,9,11,22H,8,10H2,1-3H3,(H,23,24).
What are the key properties of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide has a molecular weight of 433.30 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 60610770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).