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

C13H18FNO4 — CID 66177314

IUPACN-(2,3-dihydroxypropyl)-4-(4-fluorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(F)cc1)NCC(O)CO
InChIInChI=1S/C13H18FNO4/c14-10-3-5-12(6-4-10)19-7-1-2-13(18)15-8-11(17)9-16/h3-6,11,16-17H,1-2,7-9H2,(H,15,18)
InChIKeyPXAKRTZKHAODAS-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.45
Rot. Bonds8

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

N-(2,3-dihydroxypropyl)-4-(4-fluorophenoxy)butanamide (PubChem CID 66177314) has the molecular formula C13H18FNO4 and a molecular weight of 271.29 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-4-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-4-(4-fluorophenoxy)butanamide
PubChem CID66177314
Molecular FormulaC13H18FNO4
Molecular Weight271.29 g/mol
Exact Mass271.12
IUPAC NameN-(2,3-dihydroxypropyl)-4-(4-fluorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(F)cc1)NCC(O)CO
InChIInChI=1S/C13H18FNO4/c14-10-3-5-12(6-4-10)19-7-1-2-13(18)15-8-11(17)9-16/h3-6,11,16-17H,1-2,7-9H2,(H,15,18)
InChIKeyPXAKRTZKHAODAS-UHFFFAOYSA-N
XLogP0.45
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide
CID 66175386
N-(2,3-dihydroxypropyl)-4-phenoxybutanamide
CID 66176649
4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide
CID 60724885
N-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide
CID 119528074
N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide
CID 60724760
(2S)-2-[4-(4-fluorophenoxy)butanoylamino]-3-hydroxypropanoic acid
CID 61153383
2-[4-(4-fluorophenoxy)butanoylamino]propanoic acid
CID 43355187
N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide
CID 110834214
4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide
CID 120561361
4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide
CID 103772535
N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide
CID 119995301
N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide
CID 107261214

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-4-(4-fluorophenoxy)butanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-4-(4-fluorophenoxy)butanamide (CID 66177314) is N-(2,3-dihydroxypropyl)-4-(4-fluorophenoxy)butanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-4-(4-fluorophenoxy)butanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-4-(4-fluorophenoxy)butanamide is O=C(CCCOc1ccc(F)cc1)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-4-(4-fluorophenoxy)butanamide?
The InChIKey is PXAKRTZKHAODAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4/c14-10-3-5-12(6-4-10)19-7-1-2-13(18)15-8-11(17)9-16/h3-6,11,16-17H,1-2,7-9H2,(H,15,18).
What are the key properties of N-(2,3-dihydroxypropyl)-4-(4-fluorophenoxy)butanamide?
N-(2,3-dihydroxypropyl)-4-(4-fluorophenoxy)butanamide has a molecular weight of 271.29 g/mol, XLogP of 0.45, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-4-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 66177314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).