N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide

C12H16FNO4 — CID 66175386

IUPACN-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide
SMILESO=C(CCOc1ccc(F)cc1)NCC(O)CO
InChIInChI=1S/C12H16FNO4/c13-9-1-3-11(4-2-9)18-6-5-12(17)14-7-10(16)8-15/h1-4,10,15-16H,5-8H2,(H,14,17)
InChIKeyUJRLJXNUOFUXBL-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.06
Rot. Bonds7

About N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide

N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide (PubChem CID 66175386) has the molecular formula C12H16FNO4 and a molecular weight of 257.26 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide
PubChem CID66175386
Molecular FormulaC12H16FNO4
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC NameN-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide
SMILESO=C(CCOc1ccc(F)cc1)NCC(O)CO
InChIInChI=1S/C12H16FNO4/c13-9-1-3-11(4-2-9)18-6-5-12(17)14-7-10(16)8-15/h1-4,10,15-16H,5-8H2,(H,14,17)
InChIKeyUJRLJXNUOFUXBL-UHFFFAOYSA-N
XLogP0.06
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydroxypropyl)-4-(4-fluorophenoxy)butanamide
CID 66177314
N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide
CID 110834214
N-(2,3-dihydroxypropyl)-4-phenoxybutanamide
CID 66176649
N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide
CID 119995301
3-[3-(4-fluorophenoxy)propanoylamino]-2-methoxypropanoic acid
CID 106107648
3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide
CID 113491836
3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide
CID 66177946
4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide
CID 60724885
3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318784
3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 110678607
3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81367166
4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide
CID 120561361

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide (CID 66175386) is N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide is O=C(CCOc1ccc(F)cc1)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide?
The InChIKey is UJRLJXNUOFUXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4/c13-9-1-3-11(4-2-9)18-6-5-12(17)14-7-10(16)8-15/h1-4,10,15-16H,5-8H2,(H,14,17).
What are the key properties of N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide?
N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide has a molecular weight of 257.26 g/mol, XLogP of 0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 66175386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).