6-bromo-N-cyclooctyl-1H-indole-2-carboxamide

C17H21BrN2O — CID 122650238

IUPAC6-bromo-N-cyclooctyl-1H-indole-2-carboxamide
SMILESO=C(NC1CCCCCCC1)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C17H21BrN2O/c18-13-9-8-12-10-16(20-15(12)11-13)17(21)19-14-6-4-2-1-3-5-7-14/h8-11,14,20H,1-7H2,(H,19,21)
InChIKeyHIRCOFSBDZGJCH-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.77
Rot. Bonds2

About 6-bromo-N-cyclooctyl-1H-indole-2-carboxamide

6-bromo-N-cyclooctyl-1H-indole-2-carboxamide (PubChem CID 122650238) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 6-bromo-N-cyclooctyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-cyclooctyl-1H-indole-2-carboxamide
PubChem CID122650238
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name6-bromo-N-cyclooctyl-1H-indole-2-carboxamide
SMILESO=C(NC1CCCCCCC1)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C17H21BrN2O/c18-13-9-8-12-10-16(20-15(12)11-13)17(21)19-14-6-4-2-1-3-5-7-14/h8-11,14,20H,1-7H2,(H,19,21)
InChIKeyHIRCOFSBDZGJCH-UHFFFAOYSA-N
XLogP4.77
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-cyclooctyl-1H-indole-2-carboxamide?
The IUPAC name of 6-bromo-N-cyclooctyl-1H-indole-2-carboxamide (CID 122650238) is 6-bromo-N-cyclooctyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-cyclooctyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-bromo-N-cyclooctyl-1H-indole-2-carboxamide is O=C(NC1CCCCCCC1)c1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-N-cyclooctyl-1H-indole-2-carboxamide?
The InChIKey is HIRCOFSBDZGJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c18-13-9-8-12-10-16(20-15(12)11-13)17(21)19-14-6-4-2-1-3-5-7-14/h8-11,14,20H,1-7H2,(H,19,21).
What are the key properties of 6-bromo-N-cyclooctyl-1H-indole-2-carboxamide?
6-bromo-N-cyclooctyl-1H-indole-2-carboxamide has a molecular weight of 349.27 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-cyclooctyl-1H-indole-2-carboxamide is sourced from PubChem (CID 122650238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).