N-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide

C12H15F2NO3 — CID 103770216

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)NCC(O)C(F)F
InChIInChI=1S/C12H15F2NO3/c13-12(14)10(16)6-15-11(17)8-18-7-9-4-2-1-3-5-9/h1-5,10,12,16H,6-8H2,(H,15,17)
InChIKeyZCIFMYCGWUHBDW-UHFFFAOYSA-N
MW259.25 g/mol
LogP0.95
Rot. Bonds7

About N-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide

N-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide (PubChem CID 103770216) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide
PubChem CID103770216
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)NCC(O)C(F)F
InChIInChI=1S/C12H15F2NO3/c13-12(14)10(16)6-15-11(17)8-18-7-9-4-2-1-3-5-9/h1-5,10,12,16H,6-8H2,(H,15,17)
InChIKeyZCIFMYCGWUHBDW-UHFFFAOYSA-N
XLogP0.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide
CID 66177316
methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate
CID 103957951
2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
CID 106107823
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-phenylethylsulfanyl)acetamide
CID 103769898
N-[2-(methylamino)ethyl]-2-phenylmethoxyacetamide
CID 119501823
(2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 107834653
2-[(4-aminophenyl)methoxy]-N-benzylacetamide
CID 28973831
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-phenylmethoxyacetamide
CID 121179497
N-butyl-2-phenylmethoxyacetamide
CID 126717674
4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 43239307
N-phenyl-2-phenylmethoxyacetamide
CID 15220156
(2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-phenylpropanamide
CID 103796488

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide (CID 103770216) is N-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide is O=C(COCc1ccccc1)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide?
The InChIKey is ZCIFMYCGWUHBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c13-12(14)10(16)6-15-11(17)8-18-7-9-4-2-1-3-5-9/h1-5,10,12,16H,6-8H2,(H,15,17).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide has a molecular weight of 259.25 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide is sourced from PubChem (CID 103770216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).