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

C13H7Cl2IN2O4 — CID 169122406

IUPAC5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-4-iodobenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)c(I)cc1O
InChIInChI=1S/C13H7Cl2IN2O4/c14-8-4-7(12(19)5-10(8)16)13(20)17-11-2-1-6(18(21)22)3-9(11)15/h1-5,19H,(H,17,20)
InChIKeySNBOAHKMEHCHLG-UHFFFAOYSA-N
MW453.02 g/mol
LogP4.46
Rot. Bonds3

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

5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-4-iodobenzamide (PubChem CID 169122406) has the molecular formula C13H7Cl2IN2O4 and a molecular weight of 453.02 g/mol. Its IUPAC name is 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-4-iodobenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-4-iodobenzamide
PubChem CID169122406
Molecular FormulaC13H7Cl2IN2O4
Molecular Weight453.02 g/mol
Exact Mass451.88
IUPAC Name5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-4-iodobenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)c(I)cc1O
InChIInChI=1S/C13H7Cl2IN2O4/c14-8-4-7(12(19)5-10(8)16)13(20)17-11-2-1-6(18(21)22)3-9(11)15/h1-5,19H,(H,17,20)
InChIKeySNBOAHKMEHCHLG-UHFFFAOYSA-N
XLogP4.46
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.02
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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

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
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
N-(2-chloro-4-nitrophenyl)-4-(dimethylamino)-2-hydroxybenzamide
CID 58865815
3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide
CID 5193542
N-(2-chloro-4-nitrophenyl)-5-ethenyl-2-hydroxybenzamide
CID 163370469
N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide
CID 155662759
2-aminoethanol;5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
CID 14992
3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide
CID 25217158
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
5-chloro-N-(2-chloro-4-nitrophenyl)-3-[(dimethylamino)methyl]-2-hydroxybenzamide
CID 11440508
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 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-4-iodobenzamide?
The IUPAC name of 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-4-iodobenzamide (CID 169122406) is 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-4-iodobenzamide.
What is the SMILES notation for 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-4-iodobenzamide?
The canonical SMILES for 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-4-iodobenzamide is O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)c(I)cc1O.
What is the InChIKey of 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-4-iodobenzamide?
The InChIKey is SNBOAHKMEHCHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2IN2O4/c14-8-4-7(12(19)5-10(8)16)13(20)17-11-2-1-6(18(21)22)3-9(11)15/h1-5,19H,(H,17,20).
What are the key properties of 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-4-iodobenzamide?
5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-4-iodobenzamide has a molecular weight of 453.02 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-4-iodobenzamide is sourced from PubChem (CID 169122406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).