4-[(4-chlorophenyl)diazenyl]naphthalen-1-amine

C16H12ClN3 — CID 23338729

IUPAC4-[(4-chlorophenyl)diazenyl]naphthalen-1-amine
SMILESNc1ccc(/N=N/c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C16H12ClN3/c17-11-5-7-12(8-6-11)19-20-16-10-9-15(18)13-3-1-2-4-14(13)16/h1-10H,18H2/b20-19+
InChIKeyAAMLICCHFFALIX-FMQUCBEESA-N
MW281.75 g/mol
LogP5.49
Rot. Bonds2

About 4-[(4-chlorophenyl)diazenyl]naphthalen-1-amine

4-[(4-chlorophenyl)diazenyl]naphthalen-1-amine (PubChem CID 23338729) has the molecular formula C16H12ClN3 and a molecular weight of 281.75 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)diazenyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)diazenyl]naphthalen-1-amine
PubChem CID23338729
Molecular FormulaC16H12ClN3
Molecular Weight281.75 g/mol
Exact Mass281.07
IUPAC Name4-[(4-chlorophenyl)diazenyl]naphthalen-1-amine
SMILESNc1ccc(/N=N/c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C16H12ClN3/c17-11-5-7-12(8-6-11)19-20-16-10-9-15(18)13-3-1-2-4-14(13)16/h1-10H,18H2/b20-19+
InChIKeyAAMLICCHFFALIX-FMQUCBEESA-N
XLogP5.49
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.75
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)diazenyl]naphthalen-1-amine?
The IUPAC name of 4-[(4-chlorophenyl)diazenyl]naphthalen-1-amine (CID 23338729) is 4-[(4-chlorophenyl)diazenyl]naphthalen-1-amine.
What is the SMILES notation for 4-[(4-chlorophenyl)diazenyl]naphthalen-1-amine?
The canonical SMILES for 4-[(4-chlorophenyl)diazenyl]naphthalen-1-amine is Nc1ccc(/N=N/c2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 4-[(4-chlorophenyl)diazenyl]naphthalen-1-amine?
The InChIKey is AAMLICCHFFALIX-FMQUCBEESA-N. The full InChI is InChI=1S/C16H12ClN3/c17-11-5-7-12(8-6-11)19-20-16-10-9-15(18)13-3-1-2-4-14(13)16/h1-10H,18H2/b20-19+.
What are the key properties of 4-[(4-chlorophenyl)diazenyl]naphthalen-1-amine?
4-[(4-chlorophenyl)diazenyl]naphthalen-1-amine has a molecular weight of 281.75 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)diazenyl]naphthalen-1-amine is sourced from PubChem (CID 23338729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).