2-[3,4-dichloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile

C16H10Cl2N2O — CID 122655754

IUPAC2-[3,4-dichloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile
SMILESN#CCc1ccc(Cl)c(Cl)c1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H10Cl2N2O/c17-12-3-1-9(5-6-19)15(16(12)18)10-2-4-13-11(7-10)8-14(21)20-13/h1-4,7H,5,8H2,(H,20,21)
InChIKeyVPSSZGXICRZZTE-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.22
Rot. Bonds2

About 2-[3,4-dichloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile

2-[3,4-dichloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile (PubChem CID 122655754) has the molecular formula C16H10Cl2N2O and a molecular weight of 317.18 g/mol. Its IUPAC name is 2-[3,4-dichloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3,4-dichloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile
PubChem CID122655754
Molecular FormulaC16H10Cl2N2O
Molecular Weight317.18 g/mol
Exact Mass316.02
IUPAC Name2-[3,4-dichloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile
SMILESN#CCc1ccc(Cl)c(Cl)c1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H10Cl2N2O/c17-12-3-1-9(5-6-19)15(16(12)18)10-2-4-13-11(7-10)8-14(21)20-13/h1-4,7H,5,8H2,(H,20,21)
InChIKeyVPSSZGXICRZZTE-UHFFFAOYSA-N
XLogP4.22
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile
CID 122655715
5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one
CID 147482882
4-[3-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]benzonitrile
CID 122655667
5-(2-chloro-6-phenylphenyl)-1,3-dihydroindol-2-one
CID 122655598
5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydroindol-2-one
CID 122655642
2-[2-chloro-3-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]acetonitrile
CID 146227642
5-(2-ethyl-6-methylphenyl)-1,3-dihydroindol-2-one
CID 122662664
4-chloro-3-(2-oxo-1,3-dihydroindol-5-yl)benzoic acid
CID 146216092
2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile
CID 115130733
2-oxo-1,3-dihydroindole-5-carbonyl cyanide
CID 116918958
3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile
CID 116866806
2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)acetonitrile
CID 84779277

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dichloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile?
The IUPAC name of 2-[3,4-dichloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile (CID 122655754) is 2-[3,4-dichloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile.
What is the SMILES notation for 2-[3,4-dichloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile?
The canonical SMILES for 2-[3,4-dichloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile is N#CCc1ccc(Cl)c(Cl)c1-c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 2-[3,4-dichloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile?
The InChIKey is VPSSZGXICRZZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O/c17-12-3-1-9(5-6-19)15(16(12)18)10-2-4-13-11(7-10)8-14(21)20-13/h1-4,7H,5,8H2,(H,20,21).
What are the key properties of 2-[3,4-dichloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile?
2-[3,4-dichloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile has a molecular weight of 317.18 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dichloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile is sourced from PubChem (CID 122655754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).