2-(4-chlorophenyl)iminonaphthalene-1,4-dione

C16H10ClNO2 — CID 54237267

IUPAC2-(4-chlorophenyl)iminonaphthalene-1,4-dione
SMILESO=C1C/C(=N\c2ccc(Cl)cc2)C(=O)c2ccccc21
InChIInChI=1S/C16H10ClNO2/c17-10-5-7-11(8-6-10)18-14-9-15(19)12-3-1-2-4-13(12)16(14)20/h1-8H,9H2/b18-14+
InChIKeyQNLCYRRUMBUDHT-NBVRZTHBSA-N
MW283.71 g/mol
LogP3.88
Rot. Bonds1

About 2-(4-chlorophenyl)iminonaphthalene-1,4-dione

2-(4-chlorophenyl)iminonaphthalene-1,4-dione (PubChem CID 54237267) has the molecular formula C16H10ClNO2 and a molecular weight of 283.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)iminonaphthalene-1,4-dione.

Molecular Properties

Compound Name2-(4-chlorophenyl)iminonaphthalene-1,4-dione
PubChem CID54237267
Molecular FormulaC16H10ClNO2
Molecular Weight283.71 g/mol
Exact Mass283.04
IUPAC Name2-(4-chlorophenyl)iminonaphthalene-1,4-dione
SMILESO=C1C/C(=N\c2ccc(Cl)cc2)C(=O)c2ccccc21
InChIInChI=1S/C16H10ClNO2/c17-10-5-7-11(8-6-10)18-14-9-15(19)12-3-1-2-4-13(12)16(14)20/h1-8H,9H2/b18-14+
InChIKeyQNLCYRRUMBUDHT-NBVRZTHBSA-N
XLogP3.88
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(5-iodo-2-pyridinyl)imino]naphthalene-1,4-dione
CID 91213111
4-[4-(pyridin-4-ylmethyl)phenyl]iminonaphthalene-1,2-dione
CID 4066946
10-[[(4-chlorophenyl)diazenyl]methylidene]anthracen-9-one
CID 23547399
4-anilino-2-(4-chlorophenyl)iminonaphthalen-1-one
CID 15103681
cobalt;bis(naphthalene-1,2,4-trione)
CID 70554472
(3E)-3-hydroxyiminoinden-1-one
CID 6418558
6-naphthalen-2-ylimino-5,8-dioxonaphthalene-1-sulfonamide
CID 123990950
2-(4-phenylbutylimino)naphthalene-1,4-dione
CID 7157452
(3Z)-3-[(Z)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]inden-1-one
CID 9499091
3-(methylhydrazinylidene)inden-1-one
CID 3485546
2-(3,3-dimethoxypropylimino)naphthalene-1,4-dione
CID 7157446
4-(4-chlorophenyl)iminopyrrolidin-2-one
CID 57176213

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)iminonaphthalene-1,4-dione?
The IUPAC name of 2-(4-chlorophenyl)iminonaphthalene-1,4-dione (CID 54237267) is 2-(4-chlorophenyl)iminonaphthalene-1,4-dione.
What is the SMILES notation for 2-(4-chlorophenyl)iminonaphthalene-1,4-dione?
The canonical SMILES for 2-(4-chlorophenyl)iminonaphthalene-1,4-dione is O=C1C/C(=N\c2ccc(Cl)cc2)C(=O)c2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)iminonaphthalene-1,4-dione?
The InChIKey is QNLCYRRUMBUDHT-NBVRZTHBSA-N. The full InChI is InChI=1S/C16H10ClNO2/c17-10-5-7-11(8-6-10)18-14-9-15(19)12-3-1-2-4-13(12)16(14)20/h1-8H,9H2/b18-14+.
What are the key properties of 2-(4-chlorophenyl)iminonaphthalene-1,4-dione?
2-(4-chlorophenyl)iminonaphthalene-1,4-dione has a molecular weight of 283.71 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)iminonaphthalene-1,4-dione is sourced from PubChem (CID 54237267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).