2-(4-fluorophenoxy)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide

C19H23FN2O3 — CID 111784540

IUPAC2-(4-fluorophenoxy)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(F)cc1)C(=O)NCC(CO)Cc1ccccn1
InChIInChI=1S/C19H23FN2O3/c1-19(2,25-17-8-6-15(20)7-9-17)18(24)22-12-14(13-23)11-16-5-3-4-10-21-16/h3-10,14,23H,11-13H2,1-2H3,(H,22,24)
InChIKeyUCDUPLPGNNLCFN-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.35
Rot. Bonds8

About 2-(4-fluorophenoxy)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide

2-(4-fluorophenoxy)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide (PubChem CID 111784540) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide
PubChem CID111784540
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name2-(4-fluorophenoxy)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(F)cc1)C(=O)NCC(CO)Cc1ccccn1
InChIInChI=1S/C19H23FN2O3/c1-19(2,25-17-8-6-15(20)7-9-17)18(24)22-12-14(13-23)11-16-5-3-4-10-21-16/h3-10,14,23H,11-13H2,1-2H3,(H,22,24)
InChIKeyUCDUPLPGNNLCFN-UHFFFAOYSA-N
XLogP2.35
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793440
N-[3-(4-chlorophenyl)-2-pyridin-2-ylbutyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 69147345
N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide
CID 97080119
N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-fluorophenoxy)-2-methylpropanamide
CID 111426344
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide
CID 111784780
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
CID 111784444
1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111840646
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide
CID 111784865
1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793371
2-(4-fluorophenoxy)-2-methylpropanehydrazide
CID 43236623
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(methoxymethyl)benzamide
CID 111784833
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
CID 111784465

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide (CID 111784540) is 2-(4-fluorophenoxy)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide is CC(C)(Oc1ccc(F)cc1)C(=O)NCC(CO)Cc1ccccn1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide?
The InChIKey is UCDUPLPGNNLCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-19(2,25-17-8-6-15(20)7-9-17)18(24)22-12-14(13-23)11-16-5-3-4-10-21-16/h3-10,14,23H,11-13H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide?
2-(4-fluorophenoxy)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide has a molecular weight of 346.40 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide is sourced from PubChem (CID 111784540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).