N-[5-bromo-1-(2-pyridin-2-ylacetyl)-2,3-dihydroindol-7-yl]acetamide

C17H16BrN3O2 — CID 112537379

IUPACN-[5-bromo-1-(2-pyridin-2-ylacetyl)-2,3-dihydroindol-7-yl]acetamide
SMILESCC(=O)Nc1cc(Br)cc2c1N(C(=O)Cc1ccccn1)CC2
InChIInChI=1S/C17H16BrN3O2/c1-11(22)20-15-9-13(18)8-12-5-7-21(17(12)15)16(23)10-14-4-2-3-6-19-14/h2-4,6,8-9H,5,7,10H2,1H3,(H,20,22)
InChIKeyKLFUAMQAKXMUJJ-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.93
Rot. Bonds3

About N-[5-bromo-1-(2-pyridin-2-ylacetyl)-2,3-dihydroindol-7-yl]acetamide

N-[5-bromo-1-(2-pyridin-2-ylacetyl)-2,3-dihydroindol-7-yl]acetamide (PubChem CID 112537379) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is N-[5-bromo-1-(2-pyridin-2-ylacetyl)-2,3-dihydroindol-7-yl]acetamide.

Molecular Properties

Compound NameN-[5-bromo-1-(2-pyridin-2-ylacetyl)-2,3-dihydroindol-7-yl]acetamide
PubChem CID112537379
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC NameN-[5-bromo-1-(2-pyridin-2-ylacetyl)-2,3-dihydroindol-7-yl]acetamide
SMILESCC(=O)Nc1cc(Br)cc2c1N(C(=O)Cc1ccccn1)CC2
InChIInChI=1S/C17H16BrN3O2/c1-11(22)20-15-9-13(18)8-12-5-7-21(17(12)15)16(23)10-14-4-2-3-6-19-14/h2-4,6,8-9H,5,7,10H2,1H3,(H,20,22)
InChIKeyKLFUAMQAKXMUJJ-UHFFFAOYSA-N
XLogP2.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-1-(2-pyridin-2-ylacetyl)-2,3-dihydroindol-7-yl]acetamide?
The IUPAC name of N-[5-bromo-1-(2-pyridin-2-ylacetyl)-2,3-dihydroindol-7-yl]acetamide (CID 112537379) is N-[5-bromo-1-(2-pyridin-2-ylacetyl)-2,3-dihydroindol-7-yl]acetamide.
What is the SMILES notation for N-[5-bromo-1-(2-pyridin-2-ylacetyl)-2,3-dihydroindol-7-yl]acetamide?
The canonical SMILES for N-[5-bromo-1-(2-pyridin-2-ylacetyl)-2,3-dihydroindol-7-yl]acetamide is CC(=O)Nc1cc(Br)cc2c1N(C(=O)Cc1ccccn1)CC2.
What is the InChIKey of N-[5-bromo-1-(2-pyridin-2-ylacetyl)-2,3-dihydroindol-7-yl]acetamide?
The InChIKey is KLFUAMQAKXMUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-11(22)20-15-9-13(18)8-12-5-7-21(17(12)15)16(23)10-14-4-2-3-6-19-14/h2-4,6,8-9H,5,7,10H2,1H3,(H,20,22).
What are the key properties of N-[5-bromo-1-(2-pyridin-2-ylacetyl)-2,3-dihydroindol-7-yl]acetamide?
N-[5-bromo-1-(2-pyridin-2-ylacetyl)-2,3-dihydroindol-7-yl]acetamide has a molecular weight of 374.24 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-1-(2-pyridin-2-ylacetyl)-2,3-dihydroindol-7-yl]acetamide is sourced from PubChem (CID 112537379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).