2-[3-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile

C16H11ClN2O — CID 122655715

IUPAC2-[3-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile
SMILESN#CCc1cccc(Cl)c1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H11ClN2O/c17-13-3-1-2-10(6-7-18)16(13)11-4-5-14-12(8-11)9-15(20)19-14/h1-5,8H,6,9H2,(H,19,20)
InChIKeySSQUDPFCIBUIQP-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.57
Rot. Bonds2

About 2-[3-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile

2-[3-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile (PubChem CID 122655715) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-[3-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile
PubChem CID122655715
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name2-[3-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile
SMILESN#CCc1cccc(Cl)c1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H11ClN2O/c17-13-3-1-2-10(6-7-18)16(13)11-4-5-14-12(8-11)9-15(20)19-14/h1-5,8H,6,9H2,(H,19,20)
InChIKeySSQUDPFCIBUIQP-UHFFFAOYSA-N
XLogP3.57
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile?
The IUPAC name of 2-[3-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile (CID 122655715) is 2-[3-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile.
What is the SMILES notation for 2-[3-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile?
The canonical SMILES for 2-[3-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile is N#CCc1cccc(Cl)c1-c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 2-[3-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile?
The InChIKey is SSQUDPFCIBUIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-13-3-1-2-10(6-7-18)16(13)11-4-5-14-12(8-11)9-15(20)19-14/h1-5,8H,6,9H2,(H,19,20).
What are the key properties of 2-[3-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile?
2-[3-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile has a molecular weight of 282.73 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile is sourced from PubChem (CID 122655715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).