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

C16H15F2NO2 — CID 56765346

IUPAC3,4-difluoro-N-(2-hydroxy-2-phenylpropyl)benzamide
SMILESCC(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)
InChIKeyJNYGWRHRZFASSA-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.60
Rot. Bonds4

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

3,4-difluoro-N-(2-hydroxy-2-phenylpropyl)benzamide (PubChem CID 56765346) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-hydroxy-2-phenylpropyl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(2-hydroxy-2-phenylpropyl)benzamide
PubChem CID56765346
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name3,4-difluoro-N-(2-hydroxy-2-phenylpropyl)benzamide
SMILESCC(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)
InChIKeyJNYGWRHRZFASSA-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-hydroxy-2-phenylpropyl)benzamide?
The IUPAC name of 3,4-difluoro-N-(2-hydroxy-2-phenylpropyl)benzamide (CID 56765346) is 3,4-difluoro-N-(2-hydroxy-2-phenylpropyl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(2-hydroxy-2-phenylpropyl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(2-hydroxy-2-phenylpropyl)benzamide is CC(O)(CNC(=O)c1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of 3,4-difluoro-N-(2-hydroxy-2-phenylpropyl)benzamide?
The InChIKey is JNYGWRHRZFASSA-UHFFFAOYSA-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).
What are the key properties of 3,4-difluoro-N-(2-hydroxy-2-phenylpropyl)benzamide?
3,4-difluoro-N-(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-(2-hydroxy-2-phenylpropyl)benzamide is sourced from PubChem (CID 56765346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).