2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide

C17H17F2NO — CID 2566393

IUPAC2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H17F2NO/c1-12(10-11-13-6-3-2-4-7-13)20-17(21)16-14(18)8-5-9-15(16)19/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyDNLPBJIGLIXOAT-LBPRGKRZSA-N
MW289.32 g/mol
LogP3.72
Rot. Bonds5

About 2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide

2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide (PubChem CID 2566393) has the molecular formula C17H17F2NO and a molecular weight of 289.32 g/mol. Its IUPAC name is 2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide
PubChem CID2566393
Molecular FormulaC17H17F2NO
Molecular Weight289.32 g/mol
Exact Mass289.13
IUPAC Name2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H17F2NO/c1-12(10-11-13-6-3-2-4-7-13)20-17(21)16-14(18)8-5-9-15(16)19/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyDNLPBJIGLIXOAT-LBPRGKRZSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(2,6-difluorobenzoyl)amino]hexanoic acid
CID 82854153
[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-chloro-6-fluorobenzoate
CID 7504114
2,6-difluoro-N-(6-methylheptan-2-yl)benzamide
CID 78789460
2-amino-6-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 61112835
N-(5-chloropentan-2-yl)-2,6-difluorobenzamide
CID 114305791
2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide
CID 3527786
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
2-(2-chloro-6-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2575385
2-(2-chloro-6-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2575382
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 17218078
2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide
CID 4564814

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide (CID 2566393) is 2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide is C[C@@H](CCc1ccccc1)NC(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The InChIKey is DNLPBJIGLIXOAT-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-12(10-11-13-6-3-2-4-7-13)20-17(21)16-14(18)8-5-9-15(16)19/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m0/s1.
What are the key properties of 2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide?
2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide has a molecular weight of 289.32 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 2566393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).