2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide

C18H20FNO2 — CID 26561037

IUPAC2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCCc1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO2/c1-3-14-4-10-17(11-5-14)22-12-18(21)20-13(2)15-6-8-16(19)9-7-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyILXWXBAHLYRKTR-ZDUSSCGKSA-N
MW301.36 g/mol
LogP3.64
Rot. Bonds6

About 2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide

2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 26561037) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID26561037
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCCc1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO2/c1-3-14-4-10-17(11-5-14)22-12-18(21)20-13(2)15-6-8-16(19)9-7-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyILXWXBAHLYRKTR-ZDUSSCGKSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561038
N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876946
N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876929
N-[1-(4-ethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17326918
N-[1-(4-ethylphenyl)ethyl]-2-phenoxyacetamide
CID 17326821
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446
methyl 2-[4-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]acetate
CID 94014472
2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 61026509
2-(4-ethylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 28721742
2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2462788
4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 51139810
2-(3,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326919

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide (CID 26561037) is 2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide is CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is ILXWXBAHLYRKTR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-3-14-4-10-17(11-5-14)22-12-18(21)20-13(2)15-6-8-16(19)9-7-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of 2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 301.36 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 26561037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).