6-bromo-N-(2-methoxyethyl)-1-propan-2-ylindole-3-carboxamide

C15H19BrN2O2 — CID 172674648

IUPAC6-bromo-N-(2-methoxyethyl)-1-propan-2-ylindole-3-carboxamide
SMILESCOCCNC(=O)c1cn(C(C)C)c2cc(Br)ccc12
InChIInChI=1S/C15H19BrN2O2/c1-10(2)18-9-13(15(19)17-6-7-20-3)12-5-4-11(16)8-14(12)18/h4-5,8-10H,6-7H2,1-3H3,(H,17,19)
InChIKeyIJZIZNDVMBXQNG-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.36
Rot. Bonds5

About 6-bromo-N-(2-methoxyethyl)-1-propan-2-ylindole-3-carboxamide

6-bromo-N-(2-methoxyethyl)-1-propan-2-ylindole-3-carboxamide (PubChem CID 172674648) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 6-bromo-N-(2-methoxyethyl)-1-propan-2-ylindole-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-methoxyethyl)-1-propan-2-ylindole-3-carboxamide
PubChem CID172674648
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name6-bromo-N-(2-methoxyethyl)-1-propan-2-ylindole-3-carboxamide
SMILESCOCCNC(=O)c1cn(C(C)C)c2cc(Br)ccc12
InChIInChI=1S/C15H19BrN2O2/c1-10(2)18-9-13(15(19)17-6-7-20-3)12-5-4-11(16)8-14(12)18/h4-5,8-10H,6-7H2,1-3H3,(H,17,19)
InChIKeyIJZIZNDVMBXQNG-UHFFFAOYSA-N
XLogP3.36
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.36
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

5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide
CID 172654547
6-bromo-N-(oxan-4-yl)-1-propan-2-ylindole-3-carboxamide
CID 172674658
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide
CID 172654835
2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 34673873
4-bromo-2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83038903
6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 46291474
1-(6-bromo-1-propan-2-ylindol-3-yl)-N-methylethanamine
CID 117196328
O-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine
CID 117196322
4-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994336
methyl 6-bromo-1-[tri(propan-2-yl)-λ4-sulfanyl]indole-3-carboxylate
CID 155401651
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-methoxyethyl)-1-propan-2-ylindole-3-carboxamide?
The IUPAC name of 6-bromo-N-(2-methoxyethyl)-1-propan-2-ylindole-3-carboxamide (CID 172674648) is 6-bromo-N-(2-methoxyethyl)-1-propan-2-ylindole-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-methoxyethyl)-1-propan-2-ylindole-3-carboxamide?
The canonical SMILES for 6-bromo-N-(2-methoxyethyl)-1-propan-2-ylindole-3-carboxamide is COCCNC(=O)c1cn(C(C)C)c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-N-(2-methoxyethyl)-1-propan-2-ylindole-3-carboxamide?
The InChIKey is IJZIZNDVMBXQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-10(2)18-9-13(15(19)17-6-7-20-3)12-5-4-11(16)8-14(12)18/h4-5,8-10H,6-7H2,1-3H3,(H,17,19).
What are the key properties of 6-bromo-N-(2-methoxyethyl)-1-propan-2-ylindole-3-carboxamide?
6-bromo-N-(2-methoxyethyl)-1-propan-2-ylindole-3-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methoxyethyl)-1-propan-2-ylindole-3-carboxamide is sourced from PubChem (CID 172674648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).