N-(2-bromo-4-methylphenyl)-3-hydroxy-4-nitrobenzamide

C14H11BrN2O4 — CID 102740461

IUPACN-(2-bromo-4-methylphenyl)-3-hydroxy-4-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(Br)c1
InChIInChI=1S/C14H11BrN2O4/c1-8-2-4-11(10(15)6-8)16-14(19)9-3-5-12(17(20)21)13(18)7-9/h2-7,18H,1H3,(H,16,19)
InChIKeyIWNLVETZVQMDNX-UHFFFAOYSA-N
MW351.16 g/mol
LogP3.62
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-3-hydroxy-4-nitrobenzamide

N-(2-bromo-4-methylphenyl)-3-hydroxy-4-nitrobenzamide (PubChem CID 102740461) has the molecular formula C14H11BrN2O4 and a molecular weight of 351.16 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3-hydroxy-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3-hydroxy-4-nitrobenzamide
PubChem CID102740461
Molecular FormulaC14H11BrN2O4
Molecular Weight351.16 g/mol
Exact Mass349.99
IUPAC NameN-(2-bromo-4-methylphenyl)-3-hydroxy-4-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(Br)c1
InChIInChI=1S/C14H11BrN2O4/c1-8-2-4-11(10(15)6-8)16-14(19)9-3-5-12(17(20)21)13(18)7-9/h2-7,18H,1H3,(H,16,19)
InChIKeyIWNLVETZVQMDNX-UHFFFAOYSA-N
XLogP3.62
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide
CID 103606052
N-(2-fluoro-5-methylphenyl)-3-hydroxy-4-nitrobenzamide
CID 103746875
3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide
CID 17411476
3-amino-4-bromo-N-(4-methyl-2-nitrophenyl)benzamide
CID 107812904
3-amino-N-(2-fluoro-4-methylphenyl)-4-nitrobenzamide
CID 62682826
4-iodo-N-(5-methyl-2-nitrophenyl)benzamide
CID 115912666
N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 711333
N-(5-chloro-2-fluorophenyl)-3-hydroxy-4-nitrobenzamide
CID 102741114
2-[(3-hydroxy-4-nitrobenzoyl)amino]benzoic acid
CID 165346961
N-(2-bromo-4-fluorophenyl)-3-chloro-4-nitrobenzamide
CID 82778464
N-(2-bromo-4-methylphenyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 43246936
4-amino-N-(2,4-dibromophenyl)-3-nitrobenzamide
CID 60628101

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3-hydroxy-4-nitrobenzamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3-hydroxy-4-nitrobenzamide (CID 102740461) is N-(2-bromo-4-methylphenyl)-3-hydroxy-4-nitrobenzamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3-hydroxy-4-nitrobenzamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3-hydroxy-4-nitrobenzamide is Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3-hydroxy-4-nitrobenzamide?
The InChIKey is IWNLVETZVQMDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O4/c1-8-2-4-11(10(15)6-8)16-14(19)9-3-5-12(17(20)21)13(18)7-9/h2-7,18H,1H3,(H,16,19).
What are the key properties of N-(2-bromo-4-methylphenyl)-3-hydroxy-4-nitrobenzamide?
N-(2-bromo-4-methylphenyl)-3-hydroxy-4-nitrobenzamide has a molecular weight of 351.16 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-3-hydroxy-4-nitrobenzamide is sourced from PubChem (CID 102740461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).