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

C17H18FNO2 — CID 2632446

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2/c1-12-3-9-16(10-4-12)21-11-17(20)19-13(2)14-5-7-15(18)8-6-14/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyAHBQTDNRMUICOO-CYBMUJFWSA-N
MW287.33 g/mol
LogP3.39
Rot. Bonds5

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

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide (PubChem CID 2632446) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
PubChem CID2632446
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2/c1-12-3-9-16(10-4-12)21-11-17(20)19-13(2)14-5-7-15(18)8-6-14/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyAHBQTDNRMUICOO-CYBMUJFWSA-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-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 61026509
N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876946
2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561037
2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2462788
2-(4-ethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561038
4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 51139810
N-[1-(4-ethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17326918
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26561387
2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 9296856
methyl N-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]carbamate
CID 94537723
methyl 2-[4-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]acetate
CID 94014472
methyl N-[4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate
CID 47059941

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide (CID 2632446) is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is AHBQTDNRMUICOO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12-3-9-16(10-4-12)21-11-17(20)19-13(2)14-5-7-15(18)8-6-14/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-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-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 2632446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).