N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide

C16H16FNO2 — CID 110755450

IUPACN-benzyl-2-(3-fluorophenoxy)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)COc1cccc(F)c1
InChIInChI=1S/C16H16FNO2/c1-18(11-13-6-3-2-4-7-13)16(19)12-20-15-9-5-8-14(17)10-15/h2-10H,11-12H2,1H3
InChIKeyADSYYGHMPYOLKK-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.86
Rot. Bonds5

About N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide

N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide (PubChem CID 110755450) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-fluorophenoxy)-N-methylacetamide
PubChem CID110755450
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC NameN-benzyl-2-(3-fluorophenoxy)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)COc1cccc(F)c1
InChIInChI=1S/C16H16FNO2/c1-18(11-13-6-3-2-4-7-13)16(19)12-20-15-9-5-8-14(17)10-15/h2-10H,11-12H2,1H3
InChIKeyADSYYGHMPYOLKK-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 78768927
2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 9482694
2-(3-fluorophenoxy)-N-methyl-N-phenylacetamide
CID 78762284
N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-propan-2-ylphenoxy)acetamide
CID 112778017
N-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 86975850
N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 60636361
2-(2-aminophenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 28801945
N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 86920381
N-[3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46474685
2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-benzyl-N-methylacetamide
CID 42860433
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 112777582

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide (CID 110755450) is N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide is CN(Cc1ccccc1)C(=O)COc1cccc(F)c1.
What is the InChIKey of N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide?
The InChIKey is ADSYYGHMPYOLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-18(11-13-6-3-2-4-7-13)16(19)12-20-15-9-5-8-14(17)10-15/h2-10H,11-12H2,1H3.
What are the key properties of N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide?
N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide has a molecular weight of 273.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide is sourced from PubChem (CID 110755450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).