5-bromo-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-2-carboxamide

C13H16BrNO2 — CID 84578269

IUPAC5-bromo-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCOCCNC(=O)C1Cc2ccc(Br)cc2C1
InChIInChI=1S/C13H16BrNO2/c1-17-5-4-15-13(16)11-6-9-2-3-12(14)8-10(9)7-11/h2-3,8,11H,4-7H2,1H3,(H,15,16)
InChIKeyYQJAOMMRZSPUTB-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.93
Rot. Bonds4

About 5-bromo-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-2-carboxamide

5-bromo-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 84578269) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID84578269
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name5-bromo-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCOCCNC(=O)C1Cc2ccc(Br)cc2C1
InChIInChI=1S/C13H16BrNO2/c1-17-5-4-15-13(16)11-6-9-2-3-12(14)8-10(9)7-11/h2-3,8,11H,4-7H2,1H3,(H,15,16)
InChIKeyYQJAOMMRZSPUTB-UHFFFAOYSA-N
XLogP1.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 112529846
5-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 112529950
N-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106244912
N-(2-bromo-3-methoxypropyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894260
5-bromo-2,3-dihydro-1H-indene-2-carboxamide
CID 77491392
5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 84578206
5-bromo-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112525315
N-(3-amino-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106243560
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
1-[(4-bromophenyl)methylsulfonyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 53283935
methyl 1-(5-bromo-2,3-dihydro-1H-indene-2-carbonyl)piperidine-4-carboxylate
CID 112531676
N-(2-methoxyethyl)-1,3-dioxane-5-carboxamide
CID 141007799

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 84578269) is 5-bromo-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-2-carboxamide is COCCNC(=O)C1Cc2ccc(Br)cc2C1.
What is the InChIKey of 5-bromo-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is YQJAOMMRZSPUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-17-5-4-15-13(16)11-6-9-2-3-12(14)8-10(9)7-11/h2-3,8,11H,4-7H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-2-carboxamide?
5-bromo-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 84578269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).