N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide

C16H16FNO3 — CID 110884938

IUPACN-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCC(Oc1cccc(CO)c1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H16FNO3/c1-11(21-15-7-2-4-12(8-15)10-19)16(20)18-14-6-3-5-13(17)9-14/h2-9,11,19H,10H2,1H3,(H,18,20)
InChIKeyJCKVQYMQIHVTST-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.72
Rot. Bonds5

About N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide

N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide (PubChem CID 110884938) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
PubChem CID110884938
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC NameN-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCC(Oc1cccc(CO)c1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H16FNO3/c1-11(21-15-7-2-4-12(8-15)10-19)16(20)18-14-6-3-5-13(17)9-14/h2-9,11,19H,10H2,1H3,(H,18,20)
InChIKeyJCKVQYMQIHVTST-UHFFFAOYSA-N
XLogP2.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388671
N-(3-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 18076804
N-[3-(3-fluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388998
methyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate
CID 87025785
N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880177
2-(4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 21173814
N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide
CID 47119298
2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 110877125
2-(3-fluorophenoxy)-N-[2-(hydroxymethyl)phenyl]propanamide
CID 61497915
2-[3-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)propanamide
CID 109388663
2-(4-chloro-3-methylphenoxy)-N-(3-fluorophenyl)propanamide
CID 53265982
diethyl 5-[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl]oxybenzene-1,3-dicarboxylate
CID 8740613

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide?
The IUPAC name of N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide (CID 110884938) is N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide is CC(Oc1cccc(CO)c1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide?
The InChIKey is JCKVQYMQIHVTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-11(21-15-7-2-4-12(8-15)10-19)16(20)18-14-6-3-5-13(17)9-14/h2-9,11,19H,10H2,1H3,(H,18,20).
What are the key properties of N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide?
N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide has a molecular weight of 289.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide is sourced from PubChem (CID 110884938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).