[2-acetamido-1-(2,5-difluorophenyl)-4,5-dihydroxypentyl] acetate

C15H19F2NO5 — CID 135350892

IUPAC[2-acetamido-1-(2,5-difluorophenyl)-4,5-dihydroxypentyl] acetate
SMILESCC(=O)NC(CC(O)CO)C(OC(C)=O)c1cc(F)ccc1F
InChIInChI=1S/C15H19F2NO5/c1-8(20)18-14(6-11(22)7-19)15(23-9(2)21)12-5-10(16)3-4-13(12)17/h3-5,11,14-15,19,22H,6-7H2,1-2H3,(H,18,20)
InChIKeyMPAZQVUEAOARLC-UHFFFAOYSA-N
MW331.32 g/mol
LogP0.82
Rot. Bonds7

About [2-acetamido-1-(2,5-difluorophenyl)-4,5-dihydroxypentyl] acetate

[2-acetamido-1-(2,5-difluorophenyl)-4,5-dihydroxypentyl] acetate (PubChem CID 135350892) has the molecular formula C15H19F2NO5 and a molecular weight of 331.32 g/mol. Its IUPAC name is [2-acetamido-1-(2,5-difluorophenyl)-4,5-dihydroxypentyl] acetate.

Molecular Properties

Compound Name[2-acetamido-1-(2,5-difluorophenyl)-4,5-dihydroxypentyl] acetate
PubChem CID135350892
Molecular FormulaC15H19F2NO5
Molecular Weight331.32 g/mol
Exact Mass331.12
IUPAC Name[2-acetamido-1-(2,5-difluorophenyl)-4,5-dihydroxypentyl] acetate
SMILESCC(=O)NC(CC(O)CO)C(OC(C)=O)c1cc(F)ccc1F
InChIInChI=1S/C15H19F2NO5/c1-8(20)18-14(6-11(22)7-19)15(23-9(2)21)12-5-10(16)3-4-13(12)17/h3-5,11,14-15,19,22H,6-7H2,1-2H3,(H,18,20)
InChIKeyMPAZQVUEAOARLC-UHFFFAOYSA-N
XLogP0.82
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-acetamido-1-(2,5-difluorophenyl)-4,5-dihydroxypentyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,2S,4S)-1-(2,5-difluorophenyl)-1,4,5-trihydroxypentan-2-yl]acetamide
CID 140922985
1-(2,4-difluorophenyl)ethyl acetate
CID 141098399
N-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882620
N-[(1R,2S)-1-(2,5-difluorophenyl)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-1-hydroxypropan-2-yl]acetamide
CID 140922980
methyl 4-(2,5-difluorophenyl)-4-hydroxy-3-(2-hydroxyethylamino)butanoate
CID 82349423
methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate
CID 51888842
methyl 2-(2,5-difluorophenyl)propanoate
CID 62801922
4-(2,5-difluorophenyl)-4-hydroxy-3-(2-hydroxyethylamino)butanoic acid
CID 82349399
tert-butyl N-[1-(2,5-difluorophenyl)ethyl]carbamate
CID 63787990
N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide
CID 79201225
2-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-methylbutan-1-ol
CID 79249000
4-(2,5-difluorophenyl)-4-hydroxy-3-(2-methoxyethylamino)butanoic acid
CID 82349409

Frequently Asked Questions

What is the IUPAC name of [2-acetamido-1-(2,5-difluorophenyl)-4,5-dihydroxypentyl] acetate?
The IUPAC name of [2-acetamido-1-(2,5-difluorophenyl)-4,5-dihydroxypentyl] acetate (CID 135350892) is [2-acetamido-1-(2,5-difluorophenyl)-4,5-dihydroxypentyl] acetate.
What is the SMILES notation for [2-acetamido-1-(2,5-difluorophenyl)-4,5-dihydroxypentyl] acetate?
The canonical SMILES for [2-acetamido-1-(2,5-difluorophenyl)-4,5-dihydroxypentyl] acetate is CC(=O)NC(CC(O)CO)C(OC(C)=O)c1cc(F)ccc1F.
What is the InChIKey of [2-acetamido-1-(2,5-difluorophenyl)-4,5-dihydroxypentyl] acetate?
The InChIKey is MPAZQVUEAOARLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO5/c1-8(20)18-14(6-11(22)7-19)15(23-9(2)21)12-5-10(16)3-4-13(12)17/h3-5,11,14-15,19,22H,6-7H2,1-2H3,(H,18,20).
What are the key properties of [2-acetamido-1-(2,5-difluorophenyl)-4,5-dihydroxypentyl] acetate?
[2-acetamido-1-(2,5-difluorophenyl)-4,5-dihydroxypentyl] acetate has a molecular weight of 331.32 g/mol, XLogP of 0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetamido-1-(2,5-difluorophenyl)-4,5-dihydroxypentyl] acetate is sourced from PubChem (CID 135350892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).