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

C14H18FNO4 — CID 171883377

IUPACN-[4-(2-acetyl-5-fluorophenyl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1cc(F)ccc1C(C)=O
InChIInChI=1S/C14H18FNO4/c1-8(17)11-4-3-10(15)7-12(11)14(20)13(19)5-6-16-9(2)18/h3-4,7,13-14,19-20H,5-6H2,1-2H3,(H,16,18)
InChIKeyQSBBTSRXRXGEJL-UHFFFAOYSA-N
MW283.30 g/mol
LogP0.95
Rot. Bonds6

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

N-[4-(2-acetyl-5-fluorophenyl)-3,4-dihydroxybutyl]acetamide (PubChem CID 171883377) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[4-(2-acetyl-5-fluorophenyl)-3,4-dihydroxybutyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-acetyl-5-fluorophenyl)-3,4-dihydroxybutyl]acetamide
PubChem CID171883377
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC NameN-[4-(2-acetyl-5-fluorophenyl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1cc(F)ccc1C(C)=O
InChIInChI=1S/C14H18FNO4/c1-8(17)11-4-3-10(15)7-12(11)14(20)13(19)5-6-16-9(2)18/h3-4,7,13-14,19-20H,5-6H2,1-2H3,(H,16,18)
InChIKeyQSBBTSRXRXGEJL-UHFFFAOYSA-N
XLogP0.95
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882620
N-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171883001
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-(1,2-dihydroxy-4-sulfanylbutyl)-5-fluorophenyl]ethanone
CID 171874421
9H-fluoren-9-ylmethyl N-[3-(2-acetyl-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834501
N-[3-(5-fluoro-2-formylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829944
N-[3,4-dihydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]butyl]acetamide
CID 171883561
1-(2-chloro-5-fluorophenyl)-4-(methylamino)butane-1,2-diol
CID 171889780
1-[5-[1,2-dihydroxy-4-(methylamino)butyl]-2,4-difluorophenyl]ethanone
CID 171890813
N-[4-(3-chloro-5-fluorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882627

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetyl-5-fluorophenyl)-3,4-dihydroxybutyl]acetamide?
The IUPAC name of N-[4-(2-acetyl-5-fluorophenyl)-3,4-dihydroxybutyl]acetamide (CID 171883377) is N-[4-(2-acetyl-5-fluorophenyl)-3,4-dihydroxybutyl]acetamide.
What is the SMILES notation for N-[4-(2-acetyl-5-fluorophenyl)-3,4-dihydroxybutyl]acetamide?
The canonical SMILES for N-[4-(2-acetyl-5-fluorophenyl)-3,4-dihydroxybutyl]acetamide is CC(=O)NCCC(O)C(O)c1cc(F)ccc1C(C)=O.
What is the InChIKey of N-[4-(2-acetyl-5-fluorophenyl)-3,4-dihydroxybutyl]acetamide?
The InChIKey is QSBBTSRXRXGEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-8(17)11-4-3-10(15)7-12(11)14(20)13(19)5-6-16-9(2)18/h3-4,7,13-14,19-20H,5-6H2,1-2H3,(H,16,18).
What are the key properties of N-[4-(2-acetyl-5-fluorophenyl)-3,4-dihydroxybutyl]acetamide?
N-[4-(2-acetyl-5-fluorophenyl)-3,4-dihydroxybutyl]acetamide has a molecular weight of 283.30 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-acetyl-5-fluorophenyl)-3,4-dihydroxybutyl]acetamide is sourced from PubChem (CID 171883377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).