5,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]-1H-indole-3-carboxamide

C18H16Br2N2O3 — CID 134049859

IUPAC5,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]-1H-indole-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2c[nH]c3cc(Br)c(Br)cc23)cc1
InChIInChI=1S/C18H16Br2N2O3/c1-24-11-2-4-12(5-3-11)25-7-6-21-18(23)14-10-22-17-9-16(20)15(19)8-13(14)17/h2-5,8-10,22H,6-7H2,1H3,(H,21,23)
InChIKeyIHOKEWSGKIKWRA-UHFFFAOYSA-N
MW468.15 g/mol
LogP4.51
Rot. Bonds6

About 5,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]-1H-indole-3-carboxamide

5,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]-1H-indole-3-carboxamide (PubChem CID 134049859) has the molecular formula C18H16Br2N2O3 and a molecular weight of 468.15 g/mol. Its IUPAC name is 5,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]-1H-indole-3-carboxamide
PubChem CID134049859
Molecular FormulaC18H16Br2N2O3
Molecular Weight468.15 g/mol
Exact Mass465.95
IUPAC Name5,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]-1H-indole-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2c[nH]c3cc(Br)c(Br)cc23)cc1
InChIInChI=1S/C18H16Br2N2O3/c1-24-11-2-4-12(5-3-11)25-7-6-21-18(23)14-10-22-17-9-16(20)15(19)8-13(14)17/h2-5,8-10,22H,6-7H2,1H3,(H,21,23)
InChIKeyIHOKEWSGKIKWRA-UHFFFAOYSA-N
XLogP4.51
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.15
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenoxyethyl)-1H-indole-3-carboxamide
CID 17447492
N-butyl-6-methoxy-1H-indole-3-carboxamide
CID 113206507
2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 8934968
5,6-dibromo-N-(2-methylprop-2-enyl)-1H-indole-3-carboxamide
CID 114618935
6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206381
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990571
N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 110691003
3-[(5,6-dibromo-1H-indole-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427247
N-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691288

Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]-1H-indole-3-carboxamide?
The IUPAC name of 5,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]-1H-indole-3-carboxamide (CID 134049859) is 5,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]-1H-indole-3-carboxamide is COc1ccc(OCCNC(=O)c2c[nH]c3cc(Br)c(Br)cc23)cc1.
What is the InChIKey of 5,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]-1H-indole-3-carboxamide?
The InChIKey is IHOKEWSGKIKWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2N2O3/c1-24-11-2-4-12(5-3-11)25-7-6-21-18(23)14-10-22-17-9-16(20)15(19)8-13(14)17/h2-5,8-10,22H,6-7H2,1H3,(H,21,23).
What are the key properties of 5,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]-1H-indole-3-carboxamide?
5,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]-1H-indole-3-carboxamide has a molecular weight of 468.15 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 134049859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).