2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide

C18H18FNO3 — CID 51235146

IUPAC2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
SMILESCC(=O)c1cccc(OC(C)C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C18H18FNO3/c1-12(21)15-4-3-5-17(10-15)23-13(2)18(22)20-11-14-6-8-16(19)9-7-14/h3-10,13H,11H2,1-2H3,(H,20,22)
InChIKeyNMCJSWQPGCRTDJ-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.11
Rot. Bonds6

About 2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide

2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 51235146) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID51235146
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
SMILESCC(=O)c1cccc(OC(C)C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C18H18FNO3/c1-12(21)15-4-3-5-17(10-15)23-13(2)18(22)20-11-14-6-8-16(19)9-7-14/h3-10,13H,11H2,1-2H3,(H,20,22)
InChIKeyNMCJSWQPGCRTDJ-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 92675443
(2R)-2-(3-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7834533
2-(3-acetylphenoxy)-N-[(2-phenoxyphenyl)methyl]propanamide
CID 71685051
(2S)-2-(3-acetylphenoxy)-N-[(2-phenoxyphenyl)methyl]propanamide
CID 52784598
N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide
CID 9253337
methyl 4-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]benzoate
CID 40881969
2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride
CID 119382393
(2R)-2-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 1083198
(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide
CID 28567347
2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119505122
2-(3-acetylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 51102404
N-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide
CID 112786440

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide (CID 51235146) is 2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide is CC(=O)c1cccc(OC(C)C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is NMCJSWQPGCRTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-12(21)15-4-3-5-17(10-15)23-13(2)18(22)20-11-14-6-8-16(19)9-7-14/h3-10,13H,11H2,1-2H3,(H,20,22).
What are the key properties of 2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide?
2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 315.34 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 51235146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).