N-benzyl-2,2-difluoro-3-hydroxy-4-phenylmethoxybutanamide

C18H19F2NO3 — CID 130863195

IUPACN-benzyl-2,2-difluoro-3-hydroxy-4-phenylmethoxybutanamide
SMILESO=C(NCc1ccccc1)C(F)(F)C(O)COCc1ccccc1
InChIInChI=1S/C18H19F2NO3/c19-18(20,17(23)21-11-14-7-3-1-4-8-14)16(22)13-24-12-15-9-5-2-6-10-15/h1-10,16,22H,11-13H2,(H,21,23)
InChIKeyDIXBNAGFZXIGBR-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.52
Rot. Bonds8

About N-benzyl-2,2-difluoro-3-hydroxy-4-phenylmethoxybutanamide

N-benzyl-2,2-difluoro-3-hydroxy-4-phenylmethoxybutanamide (PubChem CID 130863195) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is N-benzyl-2,2-difluoro-3-hydroxy-4-phenylmethoxybutanamide.

Molecular Properties

Compound NameN-benzyl-2,2-difluoro-3-hydroxy-4-phenylmethoxybutanamide
PubChem CID130863195
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC NameN-benzyl-2,2-difluoro-3-hydroxy-4-phenylmethoxybutanamide
SMILESO=C(NCc1ccccc1)C(F)(F)C(O)COCc1ccccc1
InChIInChI=1S/C18H19F2NO3/c19-18(20,17(23)21-11-14-7-3-1-4-8-14)16(22)13-24-12-15-9-5-2-6-10-15/h1-10,16,22H,11-13H2,(H,21,23)
InChIKeyDIXBNAGFZXIGBR-UHFFFAOYSA-N
XLogP2.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-difluoro-3-hydroxy-4-phenylmethoxybutanamide?
The IUPAC name of N-benzyl-2,2-difluoro-3-hydroxy-4-phenylmethoxybutanamide (CID 130863195) is N-benzyl-2,2-difluoro-3-hydroxy-4-phenylmethoxybutanamide.
What is the SMILES notation for N-benzyl-2,2-difluoro-3-hydroxy-4-phenylmethoxybutanamide?
The canonical SMILES for N-benzyl-2,2-difluoro-3-hydroxy-4-phenylmethoxybutanamide is O=C(NCc1ccccc1)C(F)(F)C(O)COCc1ccccc1.
What is the InChIKey of N-benzyl-2,2-difluoro-3-hydroxy-4-phenylmethoxybutanamide?
The InChIKey is DIXBNAGFZXIGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c19-18(20,17(23)21-11-14-7-3-1-4-8-14)16(22)13-24-12-15-9-5-2-6-10-15/h1-10,16,22H,11-13H2,(H,21,23).
What are the key properties of N-benzyl-2,2-difluoro-3-hydroxy-4-phenylmethoxybutanamide?
N-benzyl-2,2-difluoro-3-hydroxy-4-phenylmethoxybutanamide has a molecular weight of 335.35 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-difluoro-3-hydroxy-4-phenylmethoxybutanamide is sourced from PubChem (CID 130863195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).