2-(3-chloroanilino)-4-(3-chlorophenyl)iminonaphthalen-1-one

C22H14Cl2N2O — CID 164682042

IUPAC2-(3-chloroanilino)-4-(3-chlorophenyl)iminonaphthalen-1-one
SMILESO=C1C(Nc2cccc(Cl)c2)=C/C(=N\c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C22H14Cl2N2O/c23-14-5-3-7-16(11-14)25-20-13-21(26-17-8-4-6-15(24)12-17)22(27)19-10-2-1-9-18(19)20/h1-13,26H/b25-20+
InChIKeyGFVJNZUBNSTPOA-LKUDQCMESA-N
MW393.27 g/mol
LogP6.31
Rot. Bonds3

About 2-(3-chloroanilino)-4-(3-chlorophenyl)iminonaphthalen-1-one

2-(3-chloroanilino)-4-(3-chlorophenyl)iminonaphthalen-1-one (PubChem CID 164682042) has the molecular formula C22H14Cl2N2O and a molecular weight of 393.27 g/mol. Its IUPAC name is 2-(3-chloroanilino)-4-(3-chlorophenyl)iminonaphthalen-1-one.

Molecular Properties

Compound Name2-(3-chloroanilino)-4-(3-chlorophenyl)iminonaphthalen-1-one
PubChem CID164682042
Molecular FormulaC22H14Cl2N2O
Molecular Weight393.27 g/mol
Exact Mass392.05
IUPAC Name2-(3-chloroanilino)-4-(3-chlorophenyl)iminonaphthalen-1-one
SMILESO=C1C(Nc2cccc(Cl)c2)=C/C(=N\c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C22H14Cl2N2O/c23-14-5-3-7-16(11-14)25-20-13-21(26-17-8-4-6-15(24)12-17)22(27)19-10-2-1-9-18(19)20/h1-13,26H/b25-20+
InChIKeyGFVJNZUBNSTPOA-LKUDQCMESA-N
XLogP6.31
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.27
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-anilino-2-(4-chlorophenyl)iminonaphthalen-1-one
CID 15103681
2-[4-[(3-chlorophenyl)methoxy]anilino]naphthalene-1,4-dione
CID 162676522
2-(3-methylanilino)naphthalene-1,4-dione
CID 10515679
N-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 40910726
(NE)-4-fluoro-N-[3-(3-methylanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 22524938
2,5-dianilino-4-phenyliminocyclohexa-2,5-dien-1-one
CID 2817765
3-[(1,4-dioxonaphthalen-2-yl)amino]benzonitrile
CID 10564229
N-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide
CID 992594
2-[2-(3-chlorophenyl)ethyl]naphthalene-1,4-dione
CID 147060272
3-(3-chlorophenyl)iminoisoindol-1-amine
CID 705547
3-[[(4Z)-4-(2,4-dimethylphenyl)sulfonylimino-1-oxonaphthalen-2-yl]amino]benzoic acid
CID 5450096
3-(3-chloroanilino)-1-ethylpyrrole-2,5-dione
CID 16647844

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-4-(3-chlorophenyl)iminonaphthalen-1-one?
The IUPAC name of 2-(3-chloroanilino)-4-(3-chlorophenyl)iminonaphthalen-1-one (CID 164682042) is 2-(3-chloroanilino)-4-(3-chlorophenyl)iminonaphthalen-1-one.
What is the SMILES notation for 2-(3-chloroanilino)-4-(3-chlorophenyl)iminonaphthalen-1-one?
The canonical SMILES for 2-(3-chloroanilino)-4-(3-chlorophenyl)iminonaphthalen-1-one is O=C1C(Nc2cccc(Cl)c2)=C/C(=N\c2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 2-(3-chloroanilino)-4-(3-chlorophenyl)iminonaphthalen-1-one?
The InChIKey is GFVJNZUBNSTPOA-LKUDQCMESA-N. The full InChI is InChI=1S/C22H14Cl2N2O/c23-14-5-3-7-16(11-14)25-20-13-21(26-17-8-4-6-15(24)12-17)22(27)19-10-2-1-9-18(19)20/h1-13,26H/b25-20+.
What are the key properties of 2-(3-chloroanilino)-4-(3-chlorophenyl)iminonaphthalen-1-one?
2-(3-chloroanilino)-4-(3-chlorophenyl)iminonaphthalen-1-one has a molecular weight of 393.27 g/mol, XLogP of 6.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-4-(3-chlorophenyl)iminonaphthalen-1-one is sourced from PubChem (CID 164682042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).