2-hydroxy-N-(4-nitrophenyl)-5-(2,4,4-trimethylpentan-2-yl)benzamide

C21H26N2O4 — CID 21454217

IUPAC2-hydroxy-N-(4-nitrophenyl)-5-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCC(C)(C)CC(C)(C)c1ccc(O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C21H26N2O4/c1-20(2,3)13-21(4,5)14-6-11-18(24)17(12-14)19(25)22-15-7-9-16(10-8-15)23(26)27/h6-12,24H,13H2,1-5H3,(H,22,25)
InChIKeyLCVZENCPHQSOEO-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.27
Rot. Bonds5

About 2-hydroxy-N-(4-nitrophenyl)-5-(2,4,4-trimethylpentan-2-yl)benzamide

2-hydroxy-N-(4-nitrophenyl)-5-(2,4,4-trimethylpentan-2-yl)benzamide (PubChem CID 21454217) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-hydroxy-N-(4-nitrophenyl)-5-(2,4,4-trimethylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(4-nitrophenyl)-5-(2,4,4-trimethylpentan-2-yl)benzamide
PubChem CID21454217
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-hydroxy-N-(4-nitrophenyl)-5-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCC(C)(C)CC(C)(C)c1ccc(O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C21H26N2O4/c1-20(2,3)13-21(4,5)14-6-11-18(24)17(12-14)19(25)22-15-7-9-16(10-8-15)23(26)27/h6-12,24H,13H2,1-5H3,(H,22,25)
InChIKeyLCVZENCPHQSOEO-UHFFFAOYSA-N
XLogP5.27
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.27
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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4-nitrophenyl)-5-(2,4,4-trimethylpentan-2-yl)benzamide?
The IUPAC name of 2-hydroxy-N-(4-nitrophenyl)-5-(2,4,4-trimethylpentan-2-yl)benzamide (CID 21454217) is 2-hydroxy-N-(4-nitrophenyl)-5-(2,4,4-trimethylpentan-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(4-nitrophenyl)-5-(2,4,4-trimethylpentan-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-N-(4-nitrophenyl)-5-(2,4,4-trimethylpentan-2-yl)benzamide is CC(C)(C)CC(C)(C)c1ccc(O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 2-hydroxy-N-(4-nitrophenyl)-5-(2,4,4-trimethylpentan-2-yl)benzamide?
The InChIKey is LCVZENCPHQSOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-20(2,3)13-21(4,5)14-6-11-18(24)17(12-14)19(25)22-15-7-9-16(10-8-15)23(26)27/h6-12,24H,13H2,1-5H3,(H,22,25).
What are the key properties of 2-hydroxy-N-(4-nitrophenyl)-5-(2,4,4-trimethylpentan-2-yl)benzamide?
2-hydroxy-N-(4-nitrophenyl)-5-(2,4,4-trimethylpentan-2-yl)benzamide has a molecular weight of 370.45 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(4-nitrophenyl)-5-(2,4,4-trimethylpentan-2-yl)benzamide is sourced from PubChem (CID 21454217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).