2-(2-bromophenyl)-2-(2,3-dihydroindol-1-yl)acetonitrile

C16H13BrN2 — CID 101456098

IUPAC2-(2-bromophenyl)-2-(2,3-dihydroindol-1-yl)acetonitrile
SMILESN#CC(c1ccccc1Br)N1CCc2ccccc21
InChIInChI=1S/C16H13BrN2/c17-14-7-3-2-6-13(14)16(11-18)19-10-9-12-5-1-4-8-15(12)19/h1-8,16H,9-10H2
InChIKeyDWZNUCIDJQWJTO-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.08
Rot. Bonds2

About 2-(2-bromophenyl)-2-(2,3-dihydroindol-1-yl)acetonitrile

2-(2-bromophenyl)-2-(2,3-dihydroindol-1-yl)acetonitrile (PubChem CID 101456098) has the molecular formula C16H13BrN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(2,3-dihydroindol-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(2,3-dihydroindol-1-yl)acetonitrile
PubChem CID101456098
Molecular FormulaC16H13BrN2
Molecular Weight313.20 g/mol
Exact Mass312.03
IUPAC Name2-(2-bromophenyl)-2-(2,3-dihydroindol-1-yl)acetonitrile
SMILESN#CC(c1ccccc1Br)N1CCc2ccccc21
InChIInChI=1S/C16H13BrN2/c17-14-7-3-2-6-13(14)16(11-18)19-10-9-12-5-1-4-8-15(12)19/h1-8,16H,9-10H2
InChIKeyDWZNUCIDJQWJTO-UHFFFAOYSA-N
XLogP4.08
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(2,3-dihydroindol-1-yl)acetonitrile?
The IUPAC name of 2-(2-bromophenyl)-2-(2,3-dihydroindol-1-yl)acetonitrile (CID 101456098) is 2-(2-bromophenyl)-2-(2,3-dihydroindol-1-yl)acetonitrile.
What is the SMILES notation for 2-(2-bromophenyl)-2-(2,3-dihydroindol-1-yl)acetonitrile?
The canonical SMILES for 2-(2-bromophenyl)-2-(2,3-dihydroindol-1-yl)acetonitrile is N#CC(c1ccccc1Br)N1CCc2ccccc21.
What is the InChIKey of 2-(2-bromophenyl)-2-(2,3-dihydroindol-1-yl)acetonitrile?
The InChIKey is DWZNUCIDJQWJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2/c17-14-7-3-2-6-13(14)16(11-18)19-10-9-12-5-1-4-8-15(12)19/h1-8,16H,9-10H2.
What are the key properties of 2-(2-bromophenyl)-2-(2,3-dihydroindol-1-yl)acetonitrile?
2-(2-bromophenyl)-2-(2,3-dihydroindol-1-yl)acetonitrile has a molecular weight of 313.20 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(2,3-dihydroindol-1-yl)acetonitrile is sourced from PubChem (CID 101456098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).