5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide

C14H11BrN2O5 — CID 4982416

IUPAC5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C14H11BrN2O5/c1-22-13-5-2-8(15)6-10(13)14(19)16-11-4-3-9(17(20)21)7-12(11)18/h2-7,18H,1H3,(H,16,19)
InChIKeyMIXSKATUZNCMME-UHFFFAOYSA-N
MW367.16 g/mol
LogP3.32
Rot. Bonds4

About 5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide

5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide (PubChem CID 4982416) has the molecular formula C14H11BrN2O5 and a molecular weight of 367.16 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide
PubChem CID4982416
Molecular FormulaC14H11BrN2O5
Molecular Weight367.16 g/mol
Exact Mass365.99
IUPAC Name5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C14H11BrN2O5/c1-22-13-5-2-8(15)6-10(13)14(19)16-11-4-3-9(17(20)21)7-12(11)18/h2-7,18H,1H3,(H,16,19)
InChIKeyMIXSKATUZNCMME-UHFFFAOYSA-N
XLogP3.32
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.16
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107745262
5-bromo-2-methoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide
CID 2898800
5-bromo-2-(2-methoxyethoxy)-N-(2-methyl-4-nitrophenyl)benzamide
CID 17357205
5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 4660639
5-bromo-N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17350998
4-bromo-N-(2-methoxy-4-nitrophenyl)benzamide
CID 5234028
methyl 2-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate
CID 108798714
5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 2994913
N-(2-ethyl-4-nitrophenyl)-2-methoxy-5-methylbenzamide
CID 167080640
5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxybenzamide
CID 2910232
5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863256
5-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 1121307

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide (CID 4982416) is 5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of 5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide?
The InChIKey is MIXSKATUZNCMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O5/c1-22-13-5-2-8(15)6-10(13)14(19)16-11-4-3-9(17(20)21)7-12(11)18/h2-7,18H,1H3,(H,16,19).
What are the key properties of 5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide?
5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide has a molecular weight of 367.16 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide is sourced from PubChem (CID 4982416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).