N-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide

C12H15F2NO3 — CID 171882620

IUPACN-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1cc(F)ccc1F
InChIInChI=1S/C12H15F2NO3/c1-7(16)15-5-4-11(17)12(18)9-6-8(13)2-3-10(9)14/h2-3,6,11-12,17-18H,4-5H2,1H3,(H,15,16)
InChIKeyISEJFPBCNBWAIZ-UHFFFAOYSA-N
MW259.25 g/mol
LogP0.89
Rot. Bonds5

About N-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide

N-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide (PubChem CID 171882620) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is N-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide
PubChem CID171882620
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC NameN-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1cc(F)ccc1F
InChIInChI=1S/C12H15F2NO3/c1-7(16)15-5-4-11(17)12(18)9-6-8(13)2-3-10(9)14/h2-3,6,11-12,17-18H,4-5H2,1H3,(H,15,16)
InChIKeyISEJFPBCNBWAIZ-UHFFFAOYSA-N
XLogP0.89
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-acetyl-5-fluorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171883377
N-[3,4-dihydroxy-4-(2,3,4-trifluorophenyl)butyl]acetamide
CID 171882871
N-[4-[2-fluoro-4-(hydroxymethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171882960
4-(4-acetamido-1,2-dihydroxybutyl)-2,5-difluorobenzoic acid
CID 171883626
1-(2,5-difluorophenyl)butane-1,2,4-triol
CID 171871871
tert-butyl N-[3-(2,5-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831686
N-[4-(2,5-difluoro-4-nitrophenyl)-3,4-dihydroxybutyl]acetamide
CID 171883741
N-[4-(3-chloro-5-fluorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882627
N-[4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882758
tert-butyl N-[3-amino-4-(2,5-difluorophenyl)-4-hydroxybutyl]carbamate
CID 83936067
N-[4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutyl]acetamide
CID 171883085
N-[3-(5-fluoro-2-formylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829944

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide?
The IUPAC name of N-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide (CID 171882620) is N-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide.
What is the SMILES notation for N-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide?
The canonical SMILES for N-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide is CC(=O)NCCC(O)C(O)c1cc(F)ccc1F.
What is the InChIKey of N-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide?
The InChIKey is ISEJFPBCNBWAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c1-7(16)15-5-4-11(17)12(18)9-6-8(13)2-3-10(9)14/h2-3,6,11-12,17-18H,4-5H2,1H3,(H,15,16).
What are the key properties of N-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide?
N-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide has a molecular weight of 259.25 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide is sourced from PubChem (CID 171882620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).