5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide

C13H15BrN2O2 — CID 172654547

IUPAC5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide
SMILESCOCCNC(=O)c1cn(C)c2ccc(Br)cc12
InChIInChI=1S/C13H15BrN2O2/c1-16-8-11(13(17)15-5-6-18-2)10-7-9(14)3-4-12(10)16/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)
InChIKeyXAKPMHQDRRTHMP-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.32
Rot. Bonds4

About 5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide

5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide (PubChem CID 172654547) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide
PubChem CID172654547
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide
SMILESCOCCNC(=O)c1cn(C)c2ccc(Br)cc12
InChIInChI=1S/C13H15BrN2O2/c1-16-8-11(13(17)15-5-6-18-2)10-7-9(14)3-4-12(10)16/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)
InChIKeyXAKPMHQDRRTHMP-UHFFFAOYSA-N
XLogP2.32
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133154
6-bromo-N-(2-methoxyethyl)-1-propan-2-ylindole-3-carboxamide
CID 172674648
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide
CID 172654835
2-[5-bromo-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 50895879
6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 46291474
2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 34673873
N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide
CID 17492048
4-(5-bromo-1-methylindazol-3-yl)oxy-N-(2-methoxyethyl)butanamide
CID 100820914
(5-bromo-1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 172654558
(E)-3-(5-bromo-1-methylindol-3-yl)but-2-enoic acid
CID 82278720
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide (CID 172654547) is 5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide is COCCNC(=O)c1cn(C)c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide?
The InChIKey is XAKPMHQDRRTHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-16-8-11(13(17)15-5-6-18-2)10-7-9(14)3-4-12(10)16/h3-4,7-8H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide?
5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide has a molecular weight of 311.18 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide is sourced from PubChem (CID 172654547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).