4-chloro-N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide

C17H8Cl3NO2 — CID 4111118

IUPAC4-chloro-N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide
SMILESO=C(/N=C1\C(Cl)=C(Cl)C(=O)c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C17H8Cl3NO2/c18-10-7-5-9(6-8-10)17(23)21-15-11-3-1-2-4-12(11)16(22)14(20)13(15)19/h1-8H/b21-15-
InChIKeyZAIZIWQGZUWGFN-QNGOZBTKSA-N
MW364.62 g/mol
LogP4.86
Rot. Bonds1

About 4-chloro-N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide

4-chloro-N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide (PubChem CID 4111118) has the molecular formula C17H8Cl3NO2 and a molecular weight of 364.62 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide
PubChem CID4111118
Molecular FormulaC17H8Cl3NO2
Molecular Weight364.62 g/mol
Exact Mass362.96
IUPAC Name4-chloro-N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide
SMILESO=C(/N=C1\C(Cl)=C(Cl)C(=O)c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C17H8Cl3NO2/c18-10-7-5-9(6-8-10)17(23)21-15-11-3-1-2-4-12(11)16(22)14(20)13(15)19/h1-8H/b21-15-
InChIKeyZAIZIWQGZUWGFN-QNGOZBTKSA-N
XLogP4.86
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.62
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide?
The IUPAC name of 4-chloro-N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide (CID 4111118) is 4-chloro-N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide.
What is the SMILES notation for 4-chloro-N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide?
The canonical SMILES for 4-chloro-N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide is O=C(/N=C1\C(Cl)=C(Cl)C(=O)c2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide?
The InChIKey is ZAIZIWQGZUWGFN-QNGOZBTKSA-N. The full InChI is InChI=1S/C17H8Cl3NO2/c18-10-7-5-9(6-8-10)17(23)21-15-11-3-1-2-4-12(11)16(22)14(20)13(15)19/h1-8H/b21-15-.
What are the key properties of 4-chloro-N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide?
4-chloro-N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide has a molecular weight of 364.62 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide is sourced from PubChem (CID 4111118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).