2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide

C15H14N2O4 — CID 67128348

IUPAC2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide
SMILESNC(=O)c1cc([N+](=O)[O-])ccc1CC(O)c1ccccc1
InChIInChI=1S/C15H14N2O4/c16-15(19)13-9-12(17(20)21)7-6-11(13)8-14(18)10-4-2-1-3-5-10/h1-7,9,14,18H,8H2,(H2,16,19)
InChIKeyLVSXUXQSNGTRGY-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.97
Rot. Bonds5

About 2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide

2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide (PubChem CID 67128348) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide
PubChem CID67128348
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide
SMILESNC(=O)c1cc([N+](=O)[O-])ccc1CC(O)c1ccccc1
InChIInChI=1S/C15H14N2O4/c16-15(19)13-9-12(17(20)21)7-6-11(13)8-14(18)10-4-2-1-3-5-10/h1-7,9,14,18H,8H2,(H2,16,19)
InChIKeyLVSXUXQSNGTRGY-UHFFFAOYSA-N
XLogP1.97
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.97
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-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide?
The IUPAC name of 2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide (CID 67128348) is 2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide.
What is the SMILES notation for 2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide?
The canonical SMILES for 2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide is NC(=O)c1cc([N+](=O)[O-])ccc1CC(O)c1ccccc1.
What is the InChIKey of 2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide?
The InChIKey is LVSXUXQSNGTRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c16-15(19)13-9-12(17(20)21)7-6-11(13)8-14(18)10-4-2-1-3-5-10/h1-7,9,14,18H,8H2,(H2,16,19).
What are the key properties of 2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide?
2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide has a molecular weight of 286.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-phenylethyl)-5-nitrobenzamide is sourced from PubChem (CID 67128348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).