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

C13H8Cl2N2O3 — CID 784701

IUPACN-(2,6-dichlorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H8Cl2N2O3/c14-10-5-2-6-11(15)12(10)16-13(18)8-3-1-4-9(7-8)17(19)20/h1-7H,(H,16,18)
InChIKeyCQIFYMJAZZTNQB-UHFFFAOYSA-N
MW311.12 g/mol
LogP4.15
Rot. Bonds3

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

N-(2,6-dichlorophenyl)-3-nitrobenzamide (PubChem CID 784701) has the molecular formula C13H8Cl2N2O3 and a molecular weight of 311.12 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-nitrobenzamide
PubChem CID784701
Molecular FormulaC13H8Cl2N2O3
Molecular Weight311.12 g/mol
Exact Mass309.99
IUPAC NameN-(2,6-dichlorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H8Cl2N2O3/c14-10-5-2-6-11(15)12(10)16-13(18)8-3-1-4-9(7-8)17(19)20/h1-7H,(H,16,18)
InChIKeyCQIFYMJAZZTNQB-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

4-amino-N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 25140841
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
N-(2,6-diethylphenyl)-3-nitrobenzamide
CID 731505
N-(4-chloro-3-hydroxyphenyl)-3-nitrobenzamide
CID 64786524
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
CID 7942128
3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide
CID 3457149
N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide
CID 4620848
3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide
CID 4301788
4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide
CID 3381280
N-(2-bromo-5-chlorophenyl)-3-nitrobenzamide
CID 81272714
N-(2,4-dinitrophenyl)-3-nitrobenzamide
CID 3427628

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-nitrobenzamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-nitrobenzamide (CID 784701) is N-(2,6-dichlorophenyl)-3-nitrobenzamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-nitrobenzamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-nitrobenzamide is O=C(Nc1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-nitrobenzamide?
The InChIKey is CQIFYMJAZZTNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O3/c14-10-5-2-6-11(15)12(10)16-13(18)8-3-1-4-9(7-8)17(19)20/h1-7H,(H,16,18).
What are the key properties of N-(2,6-dichlorophenyl)-3-nitrobenzamide?
N-(2,6-dichlorophenyl)-3-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-(2,6-dichlorophenyl)-3-nitrobenzamide is sourced from PubChem (CID 784701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).