N-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylpropyl]benzamide

C16H16FNO2 — CID 134965156

IUPACN-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylpropyl]benzamide
SMILESC[C@@](F)(c1ccccc1)[C@@H](O)NC(=O)c1ccccc1
InChIInChI=1S/C16H16FNO2/c1-16(17,13-10-6-3-7-11-13)15(20)18-14(19)12-8-4-2-5-9-12/h2-11,15,20H,1H3,(H,18,19)/t15-,16-/m1/s1
InChIKeyOCSDADUEMUKIPM-HZPDHXFCSA-N
MW273.31 g/mol
LogP2.62
Rot. Bonds4

About N-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylpropyl]benzamide

N-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylpropyl]benzamide (PubChem CID 134965156) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylpropyl]benzamide
PubChem CID134965156
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC NameN-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylpropyl]benzamide
SMILESC[C@@](F)(c1ccccc1)[C@@H](O)NC(=O)c1ccccc1
InChIInChI=1S/C16H16FNO2/c1-16(17,13-10-6-3-7-11-13)15(20)18-14(19)12-8-4-2-5-9-12/h2-11,15,20H,1H3,(H,18,19)/t15-,16-/m1/s1
InChIKeyOCSDADUEMUKIPM-HZPDHXFCSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylpropyl]benzamide?
The IUPAC name of N-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylpropyl]benzamide (CID 134965156) is N-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylpropyl]benzamide?
The canonical SMILES for N-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylpropyl]benzamide is C[C@@](F)(c1ccccc1)[C@@H](O)NC(=O)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylpropyl]benzamide?
The InChIKey is OCSDADUEMUKIPM-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-16(17,13-10-6-3-7-11-13)15(20)18-14(19)12-8-4-2-5-9-12/h2-11,15,20H,1H3,(H,18,19)/t15-,16-/m1/s1.
What are the key properties of N-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylpropyl]benzamide?
N-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylpropyl]benzamide has a molecular weight of 273.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylpropyl]benzamide is sourced from PubChem (CID 134965156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).