2,2-dichloro-1-(5,10-dihydrophenazin-1-yl)ethanone

C14H10Cl2N2O — CID 2786372

IUPAC2,2-dichloro-1-(5,10-dihydrophenazin-1-yl)ethanone
SMILESO=C(c1cccc2c1Nc1ccccc1N2)C(Cl)Cl
InChIInChI=1S/C14H10Cl2N2O/c15-14(16)13(19)8-4-3-7-11-12(8)18-10-6-2-1-5-9(10)17-11/h1-7,14,17-18H
InChIKeyLPHMDEDDADOASV-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.47
Rot. Bonds2

About 2,2-dichloro-1-(5,10-dihydrophenazin-1-yl)ethanone

2,2-dichloro-1-(5,10-dihydrophenazin-1-yl)ethanone (PubChem CID 2786372) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is 2,2-dichloro-1-(5,10-dihydrophenazin-1-yl)ethanone.

Molecular Properties

Compound Name2,2-dichloro-1-(5,10-dihydrophenazin-1-yl)ethanone
PubChem CID2786372
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name2,2-dichloro-1-(5,10-dihydrophenazin-1-yl)ethanone
SMILESO=C(c1cccc2c1Nc1ccccc1N2)C(Cl)Cl
InChIInChI=1S/C14H10Cl2N2O/c15-14(16)13(19)8-4-3-7-11-12(8)18-10-6-2-1-5-9(10)17-11/h1-7,14,17-18H
InChIKeyLPHMDEDDADOASV-UHFFFAOYSA-N
XLogP4.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(5,10-dihydrophenazin-1-yl)ethanone?
The IUPAC name of 2,2-dichloro-1-(5,10-dihydrophenazin-1-yl)ethanone (CID 2786372) is 2,2-dichloro-1-(5,10-dihydrophenazin-1-yl)ethanone.
What is the SMILES notation for 2,2-dichloro-1-(5,10-dihydrophenazin-1-yl)ethanone?
The canonical SMILES for 2,2-dichloro-1-(5,10-dihydrophenazin-1-yl)ethanone is O=C(c1cccc2c1Nc1ccccc1N2)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-(5,10-dihydrophenazin-1-yl)ethanone?
The InChIKey is LPHMDEDDADOASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c15-14(16)13(19)8-4-3-7-11-12(8)18-10-6-2-1-5-9(10)17-11/h1-7,14,17-18H.
What are the key properties of 2,2-dichloro-1-(5,10-dihydrophenazin-1-yl)ethanone?
2,2-dichloro-1-(5,10-dihydrophenazin-1-yl)ethanone has a molecular weight of 293.15 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(5,10-dihydrophenazin-1-yl)ethanone is sourced from PubChem (CID 2786372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).