4-tert-butyl-N-(2-hydroxy-4-nitrophenyl)benzamide

C17H18N2O4 — CID 9324904

IUPAC4-tert-butyl-N-(2-hydroxy-4-nitrophenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1
InChIInChI=1S/C17H18N2O4/c1-17(2,3)12-6-4-11(5-7-12)16(21)18-14-9-8-13(19(22)23)10-15(14)20/h4-10,20H,1-3H3,(H,18,21)
InChIKeyBIPLZVSXUDJYPB-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.85
Rot. Bonds3

About 4-tert-butyl-N-(2-hydroxy-4-nitrophenyl)benzamide

4-tert-butyl-N-(2-hydroxy-4-nitrophenyl)benzamide (PubChem CID 9324904) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-hydroxy-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-hydroxy-4-nitrophenyl)benzamide
PubChem CID9324904
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name4-tert-butyl-N-(2-hydroxy-4-nitrophenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1
InChIInChI=1S/C17H18N2O4/c1-17(2,3)12-6-4-11(5-7-12)16(21)18-14-9-8-13(19(22)23)10-15(14)20/h4-10,20H,1-3H3,(H,18,21)
InChIKeyBIPLZVSXUDJYPB-UHFFFAOYSA-N
XLogP3.85
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-Hydroxy-4-nitrobenzanilide
CID 3090023
N-(3-hydroxyphenyl)-2-nitrobenzamide
CID 976723
2-hydroxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 11254734
2'-Hydroxy-4'-nitrobenzanilide
CID 3431797
N-(2-hydroxy-4-nitrophenyl)-2,2-bis(4-methylphenyl)cyclopropanecarboxamide
CID 3375236
2-hydroxy-N-(4-nitrophenyl)-5-(2,4,4-trimethylpentan-2-yl)benzamide
CID 21454217
N-(2-hydroxy-4-nitrophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 3105194
N-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 3142803
N-(2-hydroxy-4-nitrophenyl)-15-methyltetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2,4,6,9(14),10,12-hexaene-15-carboxamide
CID 23992759
N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]-4-methylbenzamide
CID 4471765
N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]-4-(trifluoromethyl)benzamide
CID 141486908
N-(2-hydroxy-5-nitrophenyl)benzamide
CID 4258312

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-hydroxy-4-nitrophenyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-hydroxy-4-nitrophenyl)benzamide (CID 9324904) is 4-tert-butyl-N-(2-hydroxy-4-nitrophenyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-hydroxy-4-nitrophenyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-hydroxy-4-nitrophenyl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-hydroxy-4-nitrophenyl)benzamide?
The InChIKey is BIPLZVSXUDJYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-17(2,3)12-6-4-11(5-7-12)16(21)18-14-9-8-13(19(22)23)10-15(14)20/h4-10,20H,1-3H3,(H,18,21).
What are the key properties of 4-tert-butyl-N-(2-hydroxy-4-nitrophenyl)benzamide?
4-tert-butyl-N-(2-hydroxy-4-nitrophenyl)benzamide has a molecular weight of 314.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-hydroxy-4-nitrophenyl)benzamide is sourced from PubChem (CID 9324904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).