2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide

C17H17F2NO — CID 26687345

IUPAC2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide
SMILESCC[C@@H](CNC(=O)c1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C17H17F2NO/c1-2-12(13-6-4-3-5-7-13)11-20-17(21)15-10-14(18)8-9-16(15)19/h3-10,12H,2,11H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeySTUZDXACGAZRLW-LBPRGKRZSA-N
MW289.33 g/mol
LogP3.89
Rot. Bonds5

About 2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide

2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide (PubChem CID 26687345) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is 2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide
PubChem CID26687345
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide
SMILESCC[C@@H](CNC(=O)c1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C17H17F2NO/c1-2-12(13-6-4-3-5-7-13)11-20-17(21)15-10-14(18)8-9-16(15)19/h3-10,12H,2,11H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeySTUZDXACGAZRLW-LBPRGKRZSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide
CID 55391050
N-(2-amino-2-phenylethyl)-2,5-difluorobenzamide
CID 63120448
3,4-difluoro-N-(2-phenylbutyl)benzamide
CID 43016062
1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea
CID 46647394
2,5-dimethyl-N-(2-phenylbutyl)thiophene-3-carboxamide
CID 47113989
N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide
CID 120651737
N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide
CID 80506852
2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylbutyl)acetamide
CID 134008249
4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708
2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113248488
2-phenylbutylurea
CID 137320233
1-oxido-N-(2-phenylbutyl)pyridin-1-ium-4-carboxamide
CID 47110917

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide (CID 26687345) is 2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide is CC[C@@H](CNC(=O)c1cc(F)ccc1F)c1ccccc1.
What is the InChIKey of 2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide?
The InChIKey is STUZDXACGAZRLW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-2-12(13-6-4-3-5-7-13)11-20-17(21)15-10-14(18)8-9-16(15)19/h3-10,12H,2,11H2,1H3,(H,20,21)/t12-/m0/s1.
What are the key properties of 2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide?
2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide has a molecular weight of 289.33 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide is sourced from PubChem (CID 26687345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).