N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide

C17H18FNO2 — CID 26561387

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO2/c1-12-4-3-5-16(10-12)21-11-17(20)19-13(2)14-6-8-15(18)9-7-14/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyKOAUJWBPZXGEME-ZDUSSCGKSA-N
MW287.33 g/mol
LogP3.39
Rot. Bonds5

About N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide (PubChem CID 26561387) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
PubChem CID26561387
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO2/c1-12-4-3-5-16(10-12)21-11-17(20)19-13(2)14-6-8-15(18)9-7-14/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyKOAUJWBPZXGEME-ZDUSSCGKSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99132930
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide
CID 2469859
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 8751664
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 18200818
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-methylphenoxy)acetamide
CID 17492974
2-(3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188150
2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 47013000
2-(3-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 51140338
2-(3-methylphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60912147
(2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012275

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide (CID 26561387) is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)c1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is KOAUJWBPZXGEME-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12-4-3-5-16(10-12)21-11-17(20)19-13(2)14-6-8-15(18)9-7-14/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 287.33 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 26561387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).