N-[(1S,2R)-2-hydroxy-3-oxo-1-phenylpropyl]benzamide

C16H15NO3 — CID 59032982

IUPACN-[(1S,2R)-2-hydroxy-3-oxo-1-phenylpropyl]benzamide
SMILESO=C[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO3/c18-11-14(19)15(12-7-3-1-4-8-12)17-16(20)13-9-5-2-6-10-13/h1-11,14-15,19H,(H,17,20)/t14-,15-/m0/s1
InChIKeyHZUZTJFPNZXCCP-GJZGRUSLSA-N
MW269.30 g/mol
LogP1.72
Rot. Bonds5

About N-[(1S,2R)-2-hydroxy-3-oxo-1-phenylpropyl]benzamide

N-[(1S,2R)-2-hydroxy-3-oxo-1-phenylpropyl]benzamide (PubChem CID 59032982) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-3-oxo-1-phenylpropyl]benzamide
PubChem CID59032982
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-[(1S,2R)-2-hydroxy-3-oxo-1-phenylpropyl]benzamide
SMILESO=C[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO3/c18-11-14(19)15(12-7-3-1-4-8-12)17-16(20)13-9-5-2-6-10-13/h1-11,14-15,19H,(H,17,20)/t14-,15-/m0/s1
InChIKeyHZUZTJFPNZXCCP-GJZGRUSLSA-N
XLogP1.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-3-oxo-1-phenylpropyl]benzamide (CID 59032982) is N-[(1S,2R)-2-hydroxy-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-3-oxo-1-phenylpropyl]benzamide is O=C[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is HZUZTJFPNZXCCP-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H15NO3/c18-11-14(19)15(12-7-3-1-4-8-12)17-16(20)13-9-5-2-6-10-13/h1-11,14-15,19H,(H,17,20)/t14-,15-/m0/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-3-oxo-1-phenylpropyl]benzamide?
N-[(1S,2R)-2-hydroxy-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 269.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 59032982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).