2-(2-chloroanilino)naphthalene-1,4-dione

C16H10ClNO2 — CID 24861930

IUPAC2-(2-chloroanilino)naphthalene-1,4-dione
SMILESO=C1C=C(Nc2ccccc2Cl)C(=O)c2ccccc21
InChIInChI=1S/C16H10ClNO2/c17-12-7-3-4-8-13(12)18-14-9-15(19)10-5-1-2-6-11(10)16(14)20/h1-9,18H
InChIKeyOEXIQZHTJSSDPH-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.71
Rot. Bonds2

About 2-(2-chloroanilino)naphthalene-1,4-dione

2-(2-chloroanilino)naphthalene-1,4-dione (PubChem CID 24861930) has the molecular formula C16H10ClNO2 and a molecular weight of 283.71 g/mol. Its IUPAC name is 2-(2-chloroanilino)naphthalene-1,4-dione.

Molecular Properties

Compound Name2-(2-chloroanilino)naphthalene-1,4-dione
PubChem CID24861930
Molecular FormulaC16H10ClNO2
Molecular Weight283.71 g/mol
Exact Mass283.04
IUPAC Name2-(2-chloroanilino)naphthalene-1,4-dione
SMILESO=C1C=C(Nc2ccccc2Cl)C(=O)c2ccccc21
InChIInChI=1S/C16H10ClNO2/c17-12-7-3-4-8-13(12)18-14-9-15(19)10-5-1-2-6-11(10)16(14)20/h1-9,18H
InChIKeyOEXIQZHTJSSDPH-UHFFFAOYSA-N
XLogP3.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)naphthalene-1,4-dione?
The IUPAC name of 2-(2-chloroanilino)naphthalene-1,4-dione (CID 24861930) is 2-(2-chloroanilino)naphthalene-1,4-dione.
What is the SMILES notation for 2-(2-chloroanilino)naphthalene-1,4-dione?
The canonical SMILES for 2-(2-chloroanilino)naphthalene-1,4-dione is O=C1C=C(Nc2ccccc2Cl)C(=O)c2ccccc21.
What is the InChIKey of 2-(2-chloroanilino)naphthalene-1,4-dione?
The InChIKey is OEXIQZHTJSSDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO2/c17-12-7-3-4-8-13(12)18-14-9-15(19)10-5-1-2-6-11(10)16(14)20/h1-9,18H.
What are the key properties of 2-(2-chloroanilino)naphthalene-1,4-dione?
2-(2-chloroanilino)naphthalene-1,4-dione has a molecular weight of 283.71 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)naphthalene-1,4-dione is sourced from PubChem (CID 24861930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).