3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide

C16H15F2NO2 — CID 95367981

IUPAC3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
SMILESC[C@@](O)(CNC(=O)c1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C16H15F2NO2/c1-16(21,12-5-3-2-4-6-12)10-19-15(20)11-7-8-13(17)14(18)9-11/h2-9,21H,10H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyJNYGWRHRZFASSA-MRXNPFEDSA-N
MW291.30 g/mol
LogP2.60
Rot. Bonds4

About 3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide

3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide (PubChem CID 95367981) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
PubChem CID95367981
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
SMILESC[C@@](O)(CNC(=O)c1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C16H15F2NO2/c1-16(21,12-5-3-2-4-6-12)10-19-15(20)11-7-8-13(17)14(18)9-11/h2-9,21H,10H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyJNYGWRHRZFASSA-MRXNPFEDSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide
CID 96521380
3-fluoro-N-(2-hydroxy-2-phenylpropyl)-4-pyrrolidin-1-ylbenzamide
CID 111334766
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111944
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide
CID 99999453
N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide
CID 99999455
1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335572
N-(3-chloro-2,2-dimethylpropyl)-3,4-difluorobenzamide
CID 115364677
N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide
CID 111334967
N-(4-chloro-2,2-dimethylbutyl)-3,4-difluorobenzamide
CID 114149366
3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 110663941

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide (CID 95367981) is 3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide is C[C@@](O)(CNC(=O)c1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of 3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide?
The InChIKey is JNYGWRHRZFASSA-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-16(21,12-5-3-2-4-6-12)10-19-15(20)11-7-8-13(17)14(18)9-11/h2-9,21H,10H2,1H3,(H,19,20)/t16-/m1/s1.
What are the key properties of 3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide?
3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide has a molecular weight of 291.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide is sourced from PubChem (CID 95367981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).