N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide

C17H18FNO3 — CID 7919164

IUPACN-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H18FNO3/c1-12-3-8-15(16(9-12)21-2)22-11-17(20)19-10-13-4-6-14(18)7-5-13/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyQQGVLFFYJSRRCY-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.84
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide

N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide (PubChem CID 7919164) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
PubChem CID7919164
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H18FNO3/c1-12-3-8-15(16(9-12)21-2)22-11-17(20)19-10-13-4-6-14(18)7-5-13/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyQQGVLFFYJSRRCY-UHFFFAOYSA-N
XLogP2.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18129838
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 31449562
4-[[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 134039174
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 4798518
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814070
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide
CID 39971359
N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 17415328
2-(2,3-dimethoxyphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 112978354
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931667

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide (CID 7919164) is N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide is COc1cc(C)ccc1OCC(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The InChIKey is QQGVLFFYJSRRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-12-3-8-15(16(9-12)21-2)22-11-17(20)19-10-13-4-6-14(18)7-5-13/h3-9H,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide has a molecular weight of 303.33 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 7919164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).