N-[1-(2,5-difluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide

C19H21F2NO3 — CID 109389051

IUPACN-[1-(2,5-difluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCCC(NC(=O)C(C)Oc1cccc(CO)c1)c1cc(F)ccc1F
InChIInChI=1S/C19H21F2NO3/c1-3-18(16-10-14(20)7-8-17(16)21)22-19(24)12(2)25-15-6-4-5-13(9-15)11-23/h4-10,12,18,23H,3,11H2,1-2H3,(H,22,24)
InChIKeyWHSUGBZQMDTCFX-UHFFFAOYSA-N
MW349.38 g/mol
LogP3.49
Rot. Bonds7

About N-[1-(2,5-difluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide

N-[1-(2,5-difluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide (PubChem CID 109389051) has the molecular formula C19H21F2NO3 and a molecular weight of 349.38 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
PubChem CID109389051
Molecular FormulaC19H21F2NO3
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC NameN-[1-(2,5-difluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCCC(NC(=O)C(C)Oc1cccc(CO)c1)c1cc(F)ccc1F
InChIInChI=1S/C19H21F2NO3/c1-3-18(16-10-14(20)7-8-17(16)21)22-19(24)12(2)25-15-6-4-5-13(9-15)11-23/h4-10,12,18,23H,3,11H2,1-2H3,(H,22,24)
InChIKeyWHSUGBZQMDTCFX-UHFFFAOYSA-N
XLogP3.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 110884938
2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417847
N-[3-(3-fluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388998
N-[(3-chloro-4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388957
3-amino-N-[1-(2,5-difluorophenyl)propyl]propanamide
CID 119333169
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388934
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
N-[1-(2,4-dimethylphenyl)propyl]-2-(3-methylphenoxy)propanamide
CID 132651072
(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide
CID 28567347
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042
2-[3-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)propanamide
CID 109388663
2-(3-fluorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
CID 103940911

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide (CID 109389051) is N-[1-(2,5-difluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide is CCC(NC(=O)C(C)Oc1cccc(CO)c1)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
The InChIKey is WHSUGBZQMDTCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO3/c1-3-18(16-10-14(20)7-8-17(16)21)22-19(24)12(2)25-15-6-4-5-13(9-15)11-23/h4-10,12,18,23H,3,11H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(2,5-difluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
N-[1-(2,5-difluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide has a molecular weight of 349.38 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide is sourced from PubChem (CID 109389051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).