6-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-1H-indole-4-carboxamide

C17H14BrN3O — CID 172991036

IUPAC6-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-1H-indole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CNC2)c1cc(Br)cc2[nH]ccc12
InChIInChI=1S/C17H14BrN3O/c18-12-6-15(14-3-4-20-16(14)7-12)17(22)21-13-2-1-10-8-19-9-11(10)5-13/h1-7,19-20H,8-9H2,(H,21,22)
InChIKeyBXMKAELKOMHUTP-UHFFFAOYSA-N
MW356.22 g/mol
LogP3.79
Rot. Bonds2

About 6-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-1H-indole-4-carboxamide

6-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-1H-indole-4-carboxamide (PubChem CID 172991036) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is 6-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-1H-indole-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-1H-indole-4-carboxamide
PubChem CID172991036
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC Name6-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-1H-indole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CNC2)c1cc(Br)cc2[nH]ccc12
InChIInChI=1S/C17H14BrN3O/c18-12-6-15(14-3-4-20-16(14)7-12)17(22)21-13-2-1-10-8-19-9-11(10)5-13/h1-7,19-20H,8-9H2,(H,21,22)
InChIKeyBXMKAELKOMHUTP-UHFFFAOYSA-N
XLogP3.79
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-1H-indole-4-carboxamide?
The IUPAC name of 6-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-1H-indole-4-carboxamide (CID 172991036) is 6-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-1H-indole-4-carboxamide.
What is the SMILES notation for 6-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-1H-indole-4-carboxamide?
The canonical SMILES for 6-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-1H-indole-4-carboxamide is O=C(Nc1ccc2c(c1)CNC2)c1cc(Br)cc2[nH]ccc12.
What is the InChIKey of 6-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-1H-indole-4-carboxamide?
The InChIKey is BXMKAELKOMHUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O/c18-12-6-15(14-3-4-20-16(14)7-12)17(22)21-13-2-1-10-8-19-9-11(10)5-13/h1-7,19-20H,8-9H2,(H,21,22).
What are the key properties of 6-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-1H-indole-4-carboxamide?
6-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-1H-indole-4-carboxamide has a molecular weight of 356.22 g/mol, XLogP of 3.79, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-1H-indole-4-carboxamide is sourced from PubChem (CID 172991036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).