N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-fluorophenoxy)propanamide

C13H18FNO5 — CID 107845510

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-fluorophenoxy)propanamide
SMILESO=C(CCOc1ccccc1F)NC(CO)(CO)CO
InChIInChI=1S/C13H18FNO5/c14-10-3-1-2-4-11(10)20-6-5-12(19)15-13(7-16,8-17)9-18/h1-4,16-18H,5-9H2,(H,15,19)
InChIKeyBZFJDZMRBKXLIE-UHFFFAOYSA-N
MW287.29 g/mol
LogP-0.57
Rot. Bonds8

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-fluorophenoxy)propanamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-fluorophenoxy)propanamide (PubChem CID 107845510) has the molecular formula C13H18FNO5 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-fluorophenoxy)propanamide
PubChem CID107845510
Molecular FormulaC13H18FNO5
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-fluorophenoxy)propanamide
SMILESO=C(CCOc1ccccc1F)NC(CO)(CO)CO
InChIInChI=1S/C13H18FNO5/c14-10-3-1-2-4-11(10)20-6-5-12(19)15-13(7-16,8-17)9-18/h1-4,16-18H,5-9H2,(H,15,19)
InChIKeyBZFJDZMRBKXLIE-UHFFFAOYSA-N
XLogP-0.57
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide
CID 119569535
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62524628
3-(2-fluorophenoxy)-N-methoxypropanamide
CID 60717911
3-(2-fluorophenoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide
CID 115878515
3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682
3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109845
(2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid
CID 54990985
N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119382925
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780
4-(2-fluorophenoxy)butan-2-one
CID 28948853
3-[3-(2-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81370073

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-fluorophenoxy)propanamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-fluorophenoxy)propanamide (CID 107845510) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-fluorophenoxy)propanamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-fluorophenoxy)propanamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-fluorophenoxy)propanamide is O=C(CCOc1ccccc1F)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-fluorophenoxy)propanamide?
The InChIKey is BZFJDZMRBKXLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO5/c14-10-3-1-2-4-11(10)20-6-5-12(19)15-13(7-16,8-17)9-18/h1-4,16-18H,5-9H2,(H,15,19).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-fluorophenoxy)propanamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-fluorophenoxy)propanamide has a molecular weight of 287.29 g/mol, XLogP of -0.57, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-fluorophenoxy)propanamide is sourced from PubChem (CID 107845510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).