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

C13H8ClN3O6 — CID 17342396

IUPAC2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H8ClN3O6/c14-10-5-7(16(20)21)1-3-9(10)13(19)15-11-6-8(17(22)23)2-4-12(11)18/h1-6,18H,(H,15,19)
InChIKeySWDMHPDZHRVWTJ-UHFFFAOYSA-N
MW337.68 g/mol
LogP3.11
Rot. Bonds4

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

2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide (PubChem CID 17342396) has the molecular formula C13H8ClN3O6 and a molecular weight of 337.68 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
PubChem CID17342396
Molecular FormulaC13H8ClN3O6
Molecular Weight337.68 g/mol
Exact Mass337.01
IUPAC Name2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H8ClN3O6/c14-10-5-7(16(20)21)1-3-9(10)13(19)15-11-6-8(17(22)23)2-4-12(11)18/h1-6,18H,(H,15,19)
InChIKeySWDMHPDZHRVWTJ-UHFFFAOYSA-N
XLogP3.11
TPSA135.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.68
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide
CID 106509889
N-(5-butan-2-yl-2-hydroxyphenyl)-2-chloro-4-nitrobenzamide
CID 5067324
5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863256
3,6-dichloro-N-(2-hydroxy-5-nitrophenyl)pyridazine-4-carboxamide
CID 136812224
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-(2-acetylphenyl)-2-chloro-4-nitrobenzamide
CID 8749599
2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide
CID 773721
2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide
CID 165355321
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863233
3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide
CID 5193542
5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-4-iodobenzamide
CID 169122406

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide (CID 17342396) is 2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide is O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide?
The InChIKey is SWDMHPDZHRVWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O6/c14-10-5-7(16(20)21)1-3-9(10)13(19)15-11-6-8(17(22)23)2-4-12(11)18/h1-6,18H,(H,15,19).
What are the key properties of 2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide?
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide has a molecular weight of 337.68 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide is sourced from PubChem (CID 17342396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).