2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide

C11H14ClNO2 — CID 10728024

IUPAC2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
SMILESO=C(CCl)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C11H14ClNO2/c12-7-11(15)13-10(8-14)6-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,13,15)/t10-/m0/s1
InChIKeyRAOHWQJCNBTFLA-JTQLQIEISA-N
MW227.69 g/mol
LogP0.94
Rot. Bonds5

About 2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide

2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide (PubChem CID 10728024) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
PubChem CID10728024
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
SMILESO=C(CCl)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C11H14ClNO2/c12-7-11(15)13-10(8-14)6-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,13,15)/t10-/m0/s1
InChIKeyRAOHWQJCNBTFLA-JTQLQIEISA-N
XLogP0.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide (CID 10728024) is 2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide is O=C(CCl)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of 2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
The InChIKey is RAOHWQJCNBTFLA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-7-11(15)13-10(8-14)6-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,13,15)/t10-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide has a molecular weight of 227.69 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 10728024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).