5-bromo-2,3-dihydro-1H-indole-4-carboxamide

C9H9BrN2O — CID 178093220

IUPAC5-bromo-2,3-dihydro-1H-indole-4-carboxamide
SMILESNC(=O)c1c(Br)ccc2c1CCN2
InChIInChI=1S/C9H9BrN2O/c10-6-1-2-7-5(3-4-12-7)8(6)9(11)13/h1-2,12H,3-4H2,(H2,11,13)
InChIKeyJSPXPKULSOHMBQ-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.52
Rot. Bonds1

About 5-bromo-2,3-dihydro-1H-indole-4-carboxamide

5-bromo-2,3-dihydro-1H-indole-4-carboxamide (PubChem CID 178093220) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 5-bromo-2,3-dihydro-1H-indole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-2,3-dihydro-1H-indole-4-carboxamide
PubChem CID178093220
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name5-bromo-2,3-dihydro-1H-indole-4-carboxamide
SMILESNC(=O)c1c(Br)ccc2c1CCN2
InChIInChI=1S/C9H9BrN2O/c10-6-1-2-7-5(3-4-12-7)8(6)9(11)13/h1-2,12H,3-4H2,(H2,11,13)
InChIKeyJSPXPKULSOHMBQ-UHFFFAOYSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dihydro-1H-indole-4-carboxamide?
The IUPAC name of 5-bromo-2,3-dihydro-1H-indole-4-carboxamide (CID 178093220) is 5-bromo-2,3-dihydro-1H-indole-4-carboxamide.
What is the SMILES notation for 5-bromo-2,3-dihydro-1H-indole-4-carboxamide?
The canonical SMILES for 5-bromo-2,3-dihydro-1H-indole-4-carboxamide is NC(=O)c1c(Br)ccc2c1CCN2.
What is the InChIKey of 5-bromo-2,3-dihydro-1H-indole-4-carboxamide?
The InChIKey is JSPXPKULSOHMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-6-1-2-7-5(3-4-12-7)8(6)9(11)13/h1-2,12H,3-4H2,(H2,11,13).
What are the key properties of 5-bromo-2,3-dihydro-1H-indole-4-carboxamide?
5-bromo-2,3-dihydro-1H-indole-4-carboxamide has a molecular weight of 241.09 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dihydro-1H-indole-4-carboxamide is sourced from PubChem (CID 178093220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).