2-chloro-N-[(3S)-3-hydroxy-3-phenylpropyl]benzamide

C16H16ClNO2 — CID 96568306

IUPAC2-chloro-N-[(3S)-3-hydroxy-3-phenylpropyl]benzamide
SMILESO=C(NCC[C@H](O)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H16ClNO2/c17-14-9-5-4-8-13(14)16(20)18-11-10-15(19)12-6-2-1-3-7-12/h1-9,15,19H,10-11H2,(H,18,20)/t15-/m0/s1
InChIKeyRFWMLMBGPOQSBQ-HNNXBMFYSA-N
MW289.76 g/mol
LogP3.19
Rot. Bonds5

About 2-chloro-N-[(3S)-3-hydroxy-3-phenylpropyl]benzamide

2-chloro-N-[(3S)-3-hydroxy-3-phenylpropyl]benzamide (PubChem CID 96568306) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-chloro-N-[(3S)-3-hydroxy-3-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(3S)-3-hydroxy-3-phenylpropyl]benzamide
PubChem CID96568306
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-chloro-N-[(3S)-3-hydroxy-3-phenylpropyl]benzamide
SMILESO=C(NCC[C@H](O)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H16ClNO2/c17-14-9-5-4-8-13(14)16(20)18-11-10-15(19)12-6-2-1-3-7-12/h1-9,15,19H,10-11H2,(H,18,20)/t15-/m0/s1
InChIKeyRFWMLMBGPOQSBQ-HNNXBMFYSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3S)-3-hydroxy-3-phenylpropyl]benzamide?
The IUPAC name of 2-chloro-N-[(3S)-3-hydroxy-3-phenylpropyl]benzamide (CID 96568306) is 2-chloro-N-[(3S)-3-hydroxy-3-phenylpropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(3S)-3-hydroxy-3-phenylpropyl]benzamide?
The canonical SMILES for 2-chloro-N-[(3S)-3-hydroxy-3-phenylpropyl]benzamide is O=C(NCC[C@H](O)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(3S)-3-hydroxy-3-phenylpropyl]benzamide?
The InChIKey is RFWMLMBGPOQSBQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-14-9-5-4-8-13(14)16(20)18-11-10-15(19)12-6-2-1-3-7-12/h1-9,15,19H,10-11H2,(H,18,20)/t15-/m0/s1.
What are the key properties of 2-chloro-N-[(3S)-3-hydroxy-3-phenylpropyl]benzamide?
2-chloro-N-[(3S)-3-hydroxy-3-phenylpropyl]benzamide has a molecular weight of 289.76 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3S)-3-hydroxy-3-phenylpropyl]benzamide is sourced from PubChem (CID 96568306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).