2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylpropanamide

C19H22FNO3 — CID 86990942

IUPAC2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylpropanamide
SMILESCOCc1cccc(CNC(=O)C(C)(C)Oc2ccc(F)cc2)c1
InChIInChI=1S/C19H22FNO3/c1-19(2,24-17-9-7-16(20)8-10-17)18(22)21-12-14-5-4-6-15(11-14)13-23-3/h4-11H,12-13H2,1-3H3,(H,21,22)
InChIKeyIZZBQNRFHWCEPK-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.45
Rot. Bonds7

About 2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylpropanamide

2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylpropanamide (PubChem CID 86990942) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylpropanamide
PubChem CID86990942
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylpropanamide
SMILESCOCc1cccc(CNC(=O)C(C)(C)Oc2ccc(F)cc2)c1
InChIInChI=1S/C19H22FNO3/c1-19(2,24-17-9-7-16(20)8-10-17)18(22)21-12-14-5-4-6-15(11-14)13-23-3/h4-11H,12-13H2,1-3H3,(H,21,22)
InChIKeyIZZBQNRFHWCEPK-UHFFFAOYSA-N
XLogP3.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide
CID 86988869
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
CID 7603190
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropanamide
CID 103772311
2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide
CID 111483880
2-(4-chlorophenoxy)-2-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propanamide
CID 55714646
1-(2-hydroxy-3,3-dimethylbutyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 111338038
2-(4-fluorophenoxy)-N-(2-hydroxyphenyl)-2-methylpropanamide
CID 86978390
4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 54896358
N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide
CID 30854578
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 107904710

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylpropanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylpropanamide (CID 86990942) is 2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylpropanamide is COCc1cccc(CNC(=O)C(C)(C)Oc2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylpropanamide?
The InChIKey is IZZBQNRFHWCEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-19(2,24-17-9-7-16(20)8-10-17)18(22)21-12-14-5-4-6-15(11-14)13-23-3/h4-11H,12-13H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylpropanamide?
2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylpropanamide has a molecular weight of 331.39 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 86990942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).