3,4-dichloro-N-methyl-5-nitrobenzamide

C8H6Cl2N2O3 — CID 43215307

IUPAC3,4-dichloro-N-methyl-5-nitrobenzamide
SMILESCNC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C8H6Cl2N2O3/c1-11-8(13)4-2-5(9)7(10)6(3-4)12(14)15/h2-3H,1H3,(H,11,13)
InChIKeyPIRJPBLOFZFSDS-UHFFFAOYSA-N
MW249.05 g/mol
LogP2.26
Rot. Bonds2

About 3,4-dichloro-N-methyl-5-nitrobenzamide

3,4-dichloro-N-methyl-5-nitrobenzamide (PubChem CID 43215307) has the molecular formula C8H6Cl2N2O3 and a molecular weight of 249.05 g/mol. Its IUPAC name is 3,4-dichloro-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-methyl-5-nitrobenzamide
PubChem CID43215307
Molecular FormulaC8H6Cl2N2O3
Molecular Weight249.05 g/mol
Exact Mass247.98
IUPAC Name3,4-dichloro-N-methyl-5-nitrobenzamide
SMILESCNC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C8H6Cl2N2O3/c1-11-8(13)4-2-5(9)7(10)6(3-4)12(14)15/h2-3H,1H3,(H,11,13)
InChIKeyPIRJPBLOFZFSDS-UHFFFAOYSA-N
XLogP2.26
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 52.26
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

3,4-dichloro-N-(1-cyanoethyl)-5-nitrobenzamide
CID 113346760
3,4-dichloro-N-(2-cyanopropan-2-yl)-5-nitrobenzamide
CID 103857578
3,4-dichloro-N-(3,3-dimethylbutan-2-yl)-5-nitrobenzamide
CID 115622723
methyl 2-[(3,4-dichloro-5-nitrobenzoyl)amino]propanoate
CID 60654184
3,4-dichloro-N-(4-methylpentyl)-5-nitrobenzamide
CID 60740943
N-(2-amino-2-oxoethyl)-3,4-dichloro-5-nitrobenzamide
CID 43216293
3,4-dichloro-N-(5-methylhexyl)-5-nitrobenzamide
CID 115325232
3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide
CID 43215262
4-chloro-N-hydroxy-3,5-dinitrobenzamide
CID 71370589
3,4-dichloro-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide
CID 113463738
3,4-dichloro-N-(2-hydroxy-2-methylbutyl)-5-nitrobenzamide
CID 65107064
3,4-dichloro-N-(3-methyloxolan-3-yl)-5-nitrobenzamide
CID 115769316

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-methyl-5-nitrobenzamide?
The IUPAC name of 3,4-dichloro-N-methyl-5-nitrobenzamide (CID 43215307) is 3,4-dichloro-N-methyl-5-nitrobenzamide.
What is the SMILES notation for 3,4-dichloro-N-methyl-5-nitrobenzamide?
The canonical SMILES for 3,4-dichloro-N-methyl-5-nitrobenzamide is CNC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 3,4-dichloro-N-methyl-5-nitrobenzamide?
The InChIKey is PIRJPBLOFZFSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2O3/c1-11-8(13)4-2-5(9)7(10)6(3-4)12(14)15/h2-3H,1H3,(H,11,13).
What are the key properties of 3,4-dichloro-N-methyl-5-nitrobenzamide?
3,4-dichloro-N-methyl-5-nitrobenzamide has a molecular weight of 249.05 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 43215307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).