3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide

C16H15ClFNO2 — CID 107861450

IUPAC3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)c1cccc(Cl)c1F
InChIInChI=1S/C16H15ClFNO2/c17-14-8-4-7-13(15(14)18)16(21)19-12(10-20)9-11-5-2-1-3-6-11/h1-8,12,20H,9-10H2,(H,19,21)/t12-/m1/s1
InChIKeyLGUFLARDXUXSRY-GFCCVEGCSA-N
MW307.75 g/mol
LogP2.81
Rot. Bonds5

About 3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide

3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide (PubChem CID 107861450) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
PubChem CID107861450
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)c1cccc(Cl)c1F
InChIInChI=1S/C16H15ClFNO2/c17-14-8-4-7-13(15(14)18)16(21)19-12(10-20)9-11-5-2-1-3-6-11/h1-8,12,20H,9-10H2,(H,19,21)/t12-/m1/s1
InChIKeyLGUFLARDXUXSRY-GFCCVEGCSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(1-chloro-3-phenylpropan-2-yl)-2-fluorobenzamide
CID 114300401
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
2,3-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861388
2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107860587
5-chloro-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260573
2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673829
4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673887
4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 102673766
N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide
CID 6709695
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
CID 2324672
3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107861114
3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 82877236

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide (CID 107861450) is 3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide is O=C(N[C@@H](CO)Cc1ccccc1)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The InChIKey is LGUFLARDXUXSRY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c17-14-8-4-7-13(15(14)18)16(21)19-12(10-20)9-11-5-2-1-3-6-11/h1-8,12,20H,9-10H2,(H,19,21)/t12-/m1/s1.
What are the key properties of 3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide has a molecular weight of 307.75 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 107861450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).