3-(2-fluorophenoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide

C14H18FNO3 — CID 115878515

IUPAC3-(2-fluorophenoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide
SMILESO=C(CCOc1ccccc1F)NC1(CO)CCC1
InChIInChI=1S/C14H18FNO3/c15-11-4-1-2-5-12(11)19-9-6-13(18)16-14(10-17)7-3-8-14/h1-2,4-5,17H,3,6-10H2,(H,16,18)
InChIKeyHWAYKRJCSRHDFV-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.63
Rot. Bonds6

About 3-(2-fluorophenoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide

3-(2-fluorophenoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide (PubChem CID 115878515) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide
PubChem CID115878515
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name3-(2-fluorophenoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide
SMILESO=C(CCOc1ccccc1F)NC1(CO)CCC1
InChIInChI=1S/C14H18FNO3/c15-11-4-1-2-5-12(11)19-9-6-13(18)16-14(10-17)7-3-8-14/h1-2,4-5,17H,3,6-10H2,(H,16,18)
InChIKeyHWAYKRJCSRHDFV-UHFFFAOYSA-N
XLogP1.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62523597
2-(2-fluorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954074
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-fluorophenoxy)propanamide
CID 107845510
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide
CID 115878186
(2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid
CID 54990985
N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119382925
1-[2-(2-fluorophenoxy)ethylamino]cyclobutane-1-carboxylic acid
CID 81167804
N-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119565936
3-(2-fluorophenoxy)-N-methoxypropanamide
CID 60717911
2-(2,4-difluorophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519487
N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119505851

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide?
The IUPAC name of 3-(2-fluorophenoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide (CID 115878515) is 3-(2-fluorophenoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide?
The canonical SMILES for 3-(2-fluorophenoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide is O=C(CCOc1ccccc1F)NC1(CO)CCC1.
What is the InChIKey of 3-(2-fluorophenoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide?
The InChIKey is HWAYKRJCSRHDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c15-11-4-1-2-5-12(11)19-9-6-13(18)16-14(10-17)7-3-8-14/h1-2,4-5,17H,3,6-10H2,(H,16,18).
What are the key properties of 3-(2-fluorophenoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide?
3-(2-fluorophenoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide has a molecular weight of 267.30 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide is sourced from PubChem (CID 115878515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).