[3-(2-chlorophenyl)-2-[(2-chlorophenyl)diazenyl]propyl] acetate

C17H16Cl2N2O2 — CID 102256503

IUPAC[3-(2-chlorophenyl)-2-[(2-chlorophenyl)diazenyl]propyl] acetate
SMILESCC(=O)OCC(Cc1ccccc1Cl)/N=N/c1ccccc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c1-12(22)23-11-14(10-13-6-2-3-7-15(13)18)20-21-17-9-5-4-8-16(17)19/h2-9,14H,10-11H2,1H3/b21-20+
InChIKeyQRXFMQIGOJMFPE-QZQOTICOSA-N
MW351.23 g/mol
LogP5.25
Rot. Bonds6

About [3-(2-chlorophenyl)-2-[(2-chlorophenyl)diazenyl]propyl] acetate

[3-(2-chlorophenyl)-2-[(2-chlorophenyl)diazenyl]propyl] acetate (PubChem CID 102256503) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-2-[(2-chlorophenyl)diazenyl]propyl] acetate.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-2-[(2-chlorophenyl)diazenyl]propyl] acetate
PubChem CID102256503
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name[3-(2-chlorophenyl)-2-[(2-chlorophenyl)diazenyl]propyl] acetate
SMILESCC(=O)OCC(Cc1ccccc1Cl)/N=N/c1ccccc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c1-12(22)23-11-14(10-13-6-2-3-7-15(13)18)20-21-17-9-5-4-8-16(17)19/h2-9,14H,10-11H2,1H3/b21-20+
InChIKeyQRXFMQIGOJMFPE-QZQOTICOSA-N
XLogP5.25
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.23
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[2-chloro-2-[(2-iodophenyl)diazenyl]ethyl] acetate
CID 91394190
4-(2-chlorophenyl)-3-hydroxy-2,2-dimethylbutanamide
CID 90691212
4-(2-chlorophenyl)-3-methylbutan-2-one
CID 59397015
3-bromo-4-(2-chlorophenyl)butan-2-one
CID 62395500
[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate
CID 59063100
methyl 3-amino-4-(2-chlorophenyl)butanoate
CID 168922747
propan-2-yl 2-[(2-chlorophenyl)diazenyl]-2-(pyridin-2-yldiazenyl)acetate
CID 86041630
3-[(2-chlorophenyl)methyl]-4-(dimethylamino)butan-2-one
CID 67666684
[2-[(2-chlorophenyl)methylamino]-2-methylpropyl] acetate
CID 82533049
methyl 2-(benzhydrylideneamino)-3-(2-chlorophenyl)propanoate
CID 10091032
propyl N-[(2S)-3-(2-chlorophenyl)-2-hydroxypropyl]carbamate
CID 174972525
[(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate
CID 53355739

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-2-[(2-chlorophenyl)diazenyl]propyl] acetate?
The IUPAC name of [3-(2-chlorophenyl)-2-[(2-chlorophenyl)diazenyl]propyl] acetate (CID 102256503) is [3-(2-chlorophenyl)-2-[(2-chlorophenyl)diazenyl]propyl] acetate.
What is the SMILES notation for [3-(2-chlorophenyl)-2-[(2-chlorophenyl)diazenyl]propyl] acetate?
The canonical SMILES for [3-(2-chlorophenyl)-2-[(2-chlorophenyl)diazenyl]propyl] acetate is CC(=O)OCC(Cc1ccccc1Cl)/N=N/c1ccccc1Cl.
What is the InChIKey of [3-(2-chlorophenyl)-2-[(2-chlorophenyl)diazenyl]propyl] acetate?
The InChIKey is QRXFMQIGOJMFPE-QZQOTICOSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-12(22)23-11-14(10-13-6-2-3-7-15(13)18)20-21-17-9-5-4-8-16(17)19/h2-9,14H,10-11H2,1H3/b21-20+.
What are the key properties of [3-(2-chlorophenyl)-2-[(2-chlorophenyl)diazenyl]propyl] acetate?
[3-(2-chlorophenyl)-2-[(2-chlorophenyl)diazenyl]propyl] acetate has a molecular weight of 351.23 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-2-[(2-chlorophenyl)diazenyl]propyl] acetate is sourced from PubChem (CID 102256503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).