Benzamide, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-N-(4-nitrophenyl)-

HCID 7124367

Notes Reactions

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Basic information

CAS: 121613-51-2
Standard SMILES: CC(C)(C)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O
InChIKey: CLNBSVLNDIEZNG-UHFFFAOYSA-N
Molecular formula: C21H26N2O4
Average molar mass: 370.4 g/mol
Monoisotopic mass: 370.18925731

Names & identifiers

Preferred name: Benzamide, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-N-(4-nitrophenyl)-
IUPAC: 3,5-ditert-butyl-4-hydroxy-N-(4-nitrophenyl)benzamide

Names & synonyms

121613-51-2Benzamide, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-N-(4-nitrophenyl)-SCHEMBL4322184DTXSID80427791CLNBSVLNDIEZNG-UHFFFAOYSA-NAF-936/312690123,5-Di-tert-butyl-4-hydroxy-N-(4-nitrophenyl)benzamide3,5-ditert-butyl-4-hydroxy-N-{4-nitrophenyl}benzamide3,5-bis-(1,1-dimethylethyl)-4-hydroxy-N-(4-nitrophenyl)-benzamide

Database identifiers

CAS: 121613-51-2
PubChem CID: 7124367
DTXSID: DTXSID80427791

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 95.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 27
Formal charge: 0
Complexity: 512

Related reactions

18 records

New reaction record

HRID 154838As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 193218As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 393833As productuspto-grants-2004_10

HRID 393834As reactantuspto-grants-2004_10

HRID 987010As productuspto-grants-2003_10

HRID 987011As reactantuspto-grants-2003_10

HRID 1244463As productuspto-grants-2006_10

HRID 1244464As reactantuspto-grants-2006_10

Compound notes

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