2-(2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide

C15H22FNO3 — CID 62520461

IUPAC2-(2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
SMILESCCC(CC)(CO)NC(=O)C(C)Oc1ccccc1F
InChIInChI=1S/C15H22FNO3/c1-4-15(5-2,10-18)17-14(19)11(3)20-13-9-7-6-8-12(13)16/h6-9,11,18H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyTVNRENPRWGEORG-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.26
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide

2-(2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide (PubChem CID 62520461) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
PubChem CID62520461
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name2-(2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
SMILESCCC(CC)(CO)NC(=O)C(C)Oc1ccccc1F
InChIInChI=1S/C15H22FNO3/c1-4-15(5-2,10-18)17-14(19)11(3)20-13-9-7-6-8-12(13)16/h6-9,11,18H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyTVNRENPRWGEORG-UHFFFAOYSA-N
XLogP2.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methoxyphenoxy)propanamide
CID 62521913
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 119570702
2-(2-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318363
(2S)-N-carbamoyl-2-(2-fluorophenoxy)propanamide
CID 7815239
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861
N'-[2-(2-fluorophenoxy)propanoyl]cyclobutanecarbohydrazide
CID 18158775
(2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid
CID 107563253
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
(2S)-2-[2-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
CID 61144253
2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830406
(2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 31901152

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide (CID 62520461) is 2-(2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide is CCC(CC)(CO)NC(=O)C(C)Oc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide?
The InChIKey is TVNRENPRWGEORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-4-15(5-2,10-18)17-14(19)11(3)20-13-9-7-6-8-12(13)16/h6-9,11,18H,4-5,10H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide?
2-(2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide has a molecular weight of 283.34 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide is sourced from PubChem (CID 62520461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).