(2R,3R)-N-benzyl-2,3-difluoro-2-methylpentanamide

C13H17F2NO — CID 155931904

IUPAC(2R,3R)-N-benzyl-2,3-difluoro-2-methylpentanamide
SMILESCC[C@@H](F)[C@](C)(F)C(=O)NCc1ccccc1
InChIInChI=1S/C13H17F2NO/c1-3-11(14)13(2,15)12(17)16-9-10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3,(H,16,17)/t11-,13+/m1/s1
InChIKeyAUMGHANVBSSIRM-YPMHNXCESA-N
MW241.28 g/mol
LogP2.78
Rot. Bonds5

About (2R,3R)-N-benzyl-2,3-difluoro-2-methylpentanamide

(2R,3R)-N-benzyl-2,3-difluoro-2-methylpentanamide (PubChem CID 155931904) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is (2R,3R)-N-benzyl-2,3-difluoro-2-methylpentanamide.

Molecular Properties

Compound Name(2R,3R)-N-benzyl-2,3-difluoro-2-methylpentanamide
PubChem CID155931904
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name(2R,3R)-N-benzyl-2,3-difluoro-2-methylpentanamide
SMILESCC[C@@H](F)[C@](C)(F)C(=O)NCc1ccccc1
InChIInChI=1S/C13H17F2NO/c1-3-11(14)13(2,15)12(17)16-9-10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3,(H,16,17)/t11-,13+/m1/s1
InChIKeyAUMGHANVBSSIRM-YPMHNXCESA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 86212006
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CID 121376746
N-benzyl-2-methyl-2-(methylamino)propanamide
CID 62834477
N-benzyl-2-ethyl-2-methylpentanamide
CID 135208385
(2S,3R)-N-benzyl-2-bromo-2-fluoro-3-hydroxyoctanamide
CID 71740857
(3R)-N-benzyl-3-hydroxypentanamide
CID 130658384
N-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide
CID 108961541
methyl 3-(benzylamino)-2,2-dimethyl-3-oxopropanoate
CID 15185516
N-benzyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4525398
8-(benzylamino)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8-oxooctanoic acid
CID 159927010
N-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108961605
N-benzyl-4,4-dimethylpentanamide
CID 59836653

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-benzyl-2,3-difluoro-2-methylpentanamide?
The IUPAC name of (2R,3R)-N-benzyl-2,3-difluoro-2-methylpentanamide (CID 155931904) is (2R,3R)-N-benzyl-2,3-difluoro-2-methylpentanamide.
What is the SMILES notation for (2R,3R)-N-benzyl-2,3-difluoro-2-methylpentanamide?
The canonical SMILES for (2R,3R)-N-benzyl-2,3-difluoro-2-methylpentanamide is CC[C@@H](F)[C@](C)(F)C(=O)NCc1ccccc1.
What is the InChIKey of (2R,3R)-N-benzyl-2,3-difluoro-2-methylpentanamide?
The InChIKey is AUMGHANVBSSIRM-YPMHNXCESA-N. The full InChI is InChI=1S/C13H17F2NO/c1-3-11(14)13(2,15)12(17)16-9-10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3,(H,16,17)/t11-,13+/m1/s1.
What are the key properties of (2R,3R)-N-benzyl-2,3-difluoro-2-methylpentanamide?
(2R,3R)-N-benzyl-2,3-difluoro-2-methylpentanamide has a molecular weight of 241.28 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-benzyl-2,3-difluoro-2-methylpentanamide is sourced from PubChem (CID 155931904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).