2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide

C13H7Cl2N3O5 — CID 4594592

IUPAC2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H7Cl2N3O5/c14-10-3-1-7(17(20)21)5-9(10)13(19)16-12-4-2-8(18(22)23)6-11(12)15/h1-6H,(H,16,19)
InChIKeyZEGCBUVTMYLCOX-UHFFFAOYSA-N
MW356.12 g/mol
LogP4.06
Rot. Bonds4

About 2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide

2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide (PubChem CID 4594592) has the molecular formula C13H7Cl2N3O5 and a molecular weight of 356.12 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
PubChem CID4594592
Molecular FormulaC13H7Cl2N3O5
Molecular Weight356.12 g/mol
Exact Mass354.98
IUPAC Name2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H7Cl2N3O5/c14-10-3-1-7(17(20)21)5-9(10)13(19)16-12-4-2-8(18(22)23)6-11(12)15/h1-6H,(H,16,19)
InChIKeyZEGCBUVTMYLCOX-UHFFFAOYSA-N
XLogP4.06
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.12
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide
CID 5193542
5-[3-carboxy-4-[(2-chloro-5-nitrobenzoyl)amino]phenyl]-2-[(2-chloro-5-nitrobenzoyl)amino]benzoic acid
CID 5121715
2-chloro-N-(2,4-difluorophenyl)-5-nitrobenzamide
CID 776265
5-chloro-N-(2-chloro-4-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxybenzamide
CID 71312570
N-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 62908559
5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-4-iodobenzamide
CID 169122406
N-(2-chloro-4-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963066
2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide
CID 2323396
2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide
CID 7770244
N-(2-bromo-5-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 81270163
2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide
CID 81003282
2-amino-4-bromo-N-(2-chloro-4-nitrophenyl)benzamide
CID 79704221

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide (CID 4594592) is 2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide is O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide?
The InChIKey is ZEGCBUVTMYLCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3O5/c14-10-3-1-7(17(20)21)5-9(10)13(19)16-12-4-2-8(18(22)23)6-11(12)15/h1-6H,(H,16,19).
What are the key properties of 2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide?
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide has a molecular weight of 356.12 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide is sourced from PubChem (CID 4594592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).