N-(3,5-dichlorophenyl)-2-nitrobenzamide

C13H8Cl2N2O3 — CID 711431

IUPACN-(3,5-dichlorophenyl)-2-nitrobenzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H8Cl2N2O3/c14-8-5-9(15)7-10(6-8)16-13(18)11-3-1-2-4-12(11)17(19)20/h1-7H,(H,16,18)
InChIKeyRHMRIXDZQJDDKE-UHFFFAOYSA-N
MW311.12 g/mol
LogP4.15
Rot. Bonds3

About N-(3,5-dichlorophenyl)-2-nitrobenzamide

N-(3,5-dichlorophenyl)-2-nitrobenzamide (PubChem CID 711431) has the molecular formula C13H8Cl2N2O3 and a molecular weight of 311.12 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-nitrobenzamide
PubChem CID711431
Molecular FormulaC13H8Cl2N2O3
Molecular Weight311.12 g/mol
Exact Mass309.99
IUPAC NameN-(3,5-dichlorophenyl)-2-nitrobenzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H8Cl2N2O3/c14-8-5-9(15)7-10(6-8)16-13(18)11-3-1-2-4-12(11)17(19)20/h1-7H,(H,16,18)
InChIKeyRHMRIXDZQJDDKE-UHFFFAOYSA-N
XLogP4.15
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 54.15
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

2-Chloro-5-nitrobenzanilide
CID 644213
N-(3-Chlorophenyl)benzamide
CID 95833
N-(3,4-Dichlorophenyl)-2-methyl-3-nitrobenzamide
CID 773731
2-amino-N-(3-chlorophenyl)benzamide
CID 720859
2-Chloro-4'-nitrobenzanilide
CID 2787761
4-chloro-N-(3-chlorophenyl)benzamide
CID 346674
2-amino-N-(4-chlorophenyl)benzamide
CID 670472
N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide
CID 799096
2-[(2-Chlorobenzoyl)amino]benzamide
CID 295303
N-tert-butyl-5-chloro-2-nitrobenzamide
CID 895967
Benzanilide, 2-amino-5-chloro-
CID 204225
N-(2,4-Dimethylphenyl)-2-nitrobenzamide
CID 577479

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-nitrobenzamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-nitrobenzamide (CID 711431) is N-(3,5-dichlorophenyl)-2-nitrobenzamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-nitrobenzamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-nitrobenzamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(3,5-dichlorophenyl)-2-nitrobenzamide?
The InChIKey is RHMRIXDZQJDDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O3/c14-8-5-9(15)7-10(6-8)16-13(18)11-3-1-2-4-12(11)17(19)20/h1-7H,(H,16,18).
What are the key properties of N-(3,5-dichlorophenyl)-2-nitrobenzamide?
N-(3,5-dichlorophenyl)-2-nitrobenzamide has a molecular weight of 311.12 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-nitrobenzamide is sourced from PubChem (CID 711431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).