[4-(3,5-dichlorophenyl)-2-pyridinyl]-(2,3-dihydro-1H-indol-3-yl)methanone

C20H14Cl2N2O — CID 67218549

IUPAC[4-(3,5-dichlorophenyl)-2-pyridinyl]-(2,3-dihydro-1H-indol-3-yl)methanone
SMILESO=C(c1cc(-c2cc(Cl)cc(Cl)c2)ccn1)C1CNc2ccccc21
InChIInChI=1S/C20H14Cl2N2O/c21-14-7-13(8-15(22)10-14)12-5-6-23-19(9-12)20(25)17-11-24-18-4-2-1-3-16(17)18/h1-10,17,24H,11H2
InChIKeyWKJNAOBUDXEKPG-UHFFFAOYSA-N
MW369.25 g/mol
LogP5.45
Rot. Bonds3

About [4-(3,5-dichlorophenyl)-2-pyridinyl]-(2,3-dihydro-1H-indol-3-yl)methanone

[4-(3,5-dichlorophenyl)-2-pyridinyl]-(2,3-dihydro-1H-indol-3-yl)methanone (PubChem CID 67218549) has the molecular formula C20H14Cl2N2O and a molecular weight of 369.25 g/mol. Its IUPAC name is [4-(3,5-dichlorophenyl)-2-pyridinyl]-(2,3-dihydro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3,5-dichlorophenyl)-2-pyridinyl]-(2,3-dihydro-1H-indol-3-yl)methanone
PubChem CID67218549
Molecular FormulaC20H14Cl2N2O
Molecular Weight369.25 g/mol
Exact Mass368.05
IUPAC Name[4-(3,5-dichlorophenyl)-2-pyridinyl]-(2,3-dihydro-1H-indol-3-yl)methanone
SMILESO=C(c1cc(-c2cc(Cl)cc(Cl)c2)ccn1)C1CNc2ccccc21
InChIInChI=1S/C20H14Cl2N2O/c21-14-7-13(8-15(22)10-14)12-5-6-23-19(9-12)20(25)17-11-24-18-4-2-1-3-16(17)18/h1-10,17,24H,11H2
InChIKeyWKJNAOBUDXEKPG-UHFFFAOYSA-N
XLogP5.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.25
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichlorophenyl)-2-pyridinyl]-(2,3-dihydro-1H-indol-3-yl)methanone?
The IUPAC name of [4-(3,5-dichlorophenyl)-2-pyridinyl]-(2,3-dihydro-1H-indol-3-yl)methanone (CID 67218549) is [4-(3,5-dichlorophenyl)-2-pyridinyl]-(2,3-dihydro-1H-indol-3-yl)methanone.
What is the SMILES notation for [4-(3,5-dichlorophenyl)-2-pyridinyl]-(2,3-dihydro-1H-indol-3-yl)methanone?
The canonical SMILES for [4-(3,5-dichlorophenyl)-2-pyridinyl]-(2,3-dihydro-1H-indol-3-yl)methanone is O=C(c1cc(-c2cc(Cl)cc(Cl)c2)ccn1)C1CNc2ccccc21.
What is the InChIKey of [4-(3,5-dichlorophenyl)-2-pyridinyl]-(2,3-dihydro-1H-indol-3-yl)methanone?
The InChIKey is WKJNAOBUDXEKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O/c21-14-7-13(8-15(22)10-14)12-5-6-23-19(9-12)20(25)17-11-24-18-4-2-1-3-16(17)18/h1-10,17,24H,11H2.
What are the key properties of [4-(3,5-dichlorophenyl)-2-pyridinyl]-(2,3-dihydro-1H-indol-3-yl)methanone?
[4-(3,5-dichlorophenyl)-2-pyridinyl]-(2,3-dihydro-1H-indol-3-yl)methanone has a molecular weight of 369.25 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dichlorophenyl)-2-pyridinyl]-(2,3-dihydro-1H-indol-3-yl)methanone is sourced from PubChem (CID 67218549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).