3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide

C13H7Cl3N2O3 — CID 115541090

IUPAC3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C13H7Cl3N2O3/c14-8-4-2-5-9(15)11(8)17-13(19)7-3-1-6-10(16)12(7)18(20)21/h1-6H,(H,17,19)
InChIKeyACJZOQPUZPFSGQ-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.81
Rot. Bonds3

About 3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide

3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide (PubChem CID 115541090) has the molecular formula C13H7Cl3N2O3 and a molecular weight of 345.57 g/mol. Its IUPAC name is 3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide
PubChem CID115541090
Molecular FormulaC13H7Cl3N2O3
Molecular Weight345.57 g/mol
Exact Mass343.95
IUPAC Name3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C13H7Cl3N2O3/c14-8-4-2-5-9(15)11(8)17-13(19)7-3-1-6-10(16)12(7)18(20)21/h1-6H,(H,17,19)
InChIKeyACJZOQPUZPFSGQ-UHFFFAOYSA-N
XLogP4.81
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide?
The IUPAC name of 3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide (CID 115541090) is 3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide.
What is the SMILES notation for 3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide?
The canonical SMILES for 3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide is O=C(Nc1c(Cl)cccc1Cl)c1cccc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide?
The InChIKey is ACJZOQPUZPFSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2O3/c14-8-4-2-5-9(15)11(8)17-13(19)7-3-1-6-10(16)12(7)18(20)21/h1-6H,(H,17,19).
What are the key properties of 3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide?
3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide has a molecular weight of 345.57 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide is sourced from PubChem (CID 115541090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).