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

C13H7Cl2N3O6 — CID 5193542

IUPAC3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])cc(Cl)c1O
InChIInChI=1S/C13H7Cl2N3O6/c14-9-4-6(17(21)22)1-2-11(9)16-13(20)8-3-7(18(23)24)5-10(15)12(8)19/h1-5,19H,(H,16,20)
InChIKeyNYKNFXXMKMVDLE-UHFFFAOYSA-N
MW372.12 g/mol
LogP3.77
Rot. Bonds4

About 3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide

3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide (PubChem CID 5193542) has the molecular formula C13H7Cl2N3O6 and a molecular weight of 372.12 g/mol. Its IUPAC name is 3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide
PubChem CID5193542
Molecular FormulaC13H7Cl2N3O6
Molecular Weight372.12 g/mol
Exact Mass370.97
IUPAC Name3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])cc(Cl)c1O
InChIInChI=1S/C13H7Cl2N3O6/c14-9-4-6(17(21)22)1-2-11(9)16-13(20)8-3-7(18(23)24)5-10(15)12(8)19/h1-5,19H,(H,16,20)
InChIKeyNYKNFXXMKMVDLE-UHFFFAOYSA-N
XLogP3.77
TPSA135.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.12
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
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
3-chloro-2-hydroxy-5-nitro-N-phenylbenzamide
CID 57352159
5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-4-iodobenzamide
CID 169122406
5-chloro-N-(2-chloro-4-nitrophenyl)-3-[(dimethylamino)methyl]-2-hydroxybenzamide
CID 11440508
3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide
CID 25217158
N-(2-chloro-4-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963066
N-(2-chloro-4-nitrophenyl)-5-ethenyl-2-hydroxybenzamide
CID 163370469
N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide
CID 155662759
N-(2-chloro-4-nitrophenyl)-4-(dimethylamino)-2-hydroxybenzamide
CID 58865815
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
2-amino-4-bromo-N-(2-chloro-4-nitrophenyl)benzamide
CID 79704221

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide?
The IUPAC name of 3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide (CID 5193542) is 3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide.
What is the SMILES notation for 3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide?
The canonical SMILES for 3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide is O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])cc(Cl)c1O.
What is the InChIKey of 3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide?
The InChIKey is NYKNFXXMKMVDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3O6/c14-9-4-6(17(21)22)1-2-11(9)16-13(20)8-3-7(18(23)24)5-10(15)12(8)19/h1-5,19H,(H,16,20).
What are the key properties of 3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide?
3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide has a molecular weight of 372.12 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide is sourced from PubChem (CID 5193542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).