N-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide

C16H16FNO2 — CID 102975403

IUPACN-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide
SMILESCc1ccc(F)cc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C16H16FNO2/c1-12-7-8-14(17)9-15(12)20-11-16(19)18-10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyDXAMXDFNJOQHOC-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.83
Rot. Bonds5

About N-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide

N-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide (PubChem CID 102975403) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide
PubChem CID102975403
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC NameN-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide
SMILESCc1ccc(F)cc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C16H16FNO2/c1-12-7-8-14(17)9-15(12)20-11-16(19)18-10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyDXAMXDFNJOQHOC-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102980804
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-fluorophenoxy)acetamide
CID 34315448
2-(2-amino-3-methylphenoxy)-N-benzylacetamide
CID 43437998
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 3624933
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-propoxyphenoxy)acetamide
CID 24553271
2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 2631895
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 33304679
N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 39575947
2-[3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]phenoxy]acetic acid
CID 119246591
N-[(4-fluorophenyl)methyl]-2-[2-methyl-4-(phenylsulfamoyl)phenoxy]acetamide
CID 28555542

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide?
The IUPAC name of N-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide (CID 102975403) is N-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide.
What is the SMILES notation for N-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide?
The canonical SMILES for N-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide is Cc1ccc(F)cc1OCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide?
The InChIKey is DXAMXDFNJOQHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-12-7-8-14(17)9-15(12)20-11-16(19)18-10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide?
N-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide has a molecular weight of 273.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide is sourced from PubChem (CID 102975403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).