2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide

C16H17FN2O2 — CID 107686457

IUPAC2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
SMILESCNCc1ccc(OCC(=O)Nc2ccccc2)c(F)c1
InChIInChI=1S/C16H17FN2O2/c1-18-10-12-7-8-15(14(17)9-12)21-11-16(20)19-13-5-3-2-4-6-13/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyZXDDXBHUKFPOJI-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.56
Rot. Bonds6

About 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide

2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide (PubChem CID 107686457) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
PubChem CID107686457
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
SMILESCNCc1ccc(OCC(=O)Nc2ccccc2)c(F)c1
InChIInChI=1S/C16H17FN2O2/c1-18-10-12-7-8-15(14(17)9-12)21-11-16(20)19-13-5-3-2-4-6-13/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyZXDDXBHUKFPOJI-UHFFFAOYSA-N
XLogP2.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 2982194
methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate
CID 107686567
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107686749
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 107686453
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 43277899
N-cyclohexyl-2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetamide
CID 107686419
2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 3917191
2-(4-anilinophenoxy)-N-[4-(methylaminomethyl)phenyl]acetamide
CID 166371906
2-(4-amino-2-fluoro-5-methylphenoxy)-N-phenylacetamide
CID 114415725
2-[4-(aminomethyl)-2-fluorophenoxy]-N-(4-chlorophenyl)acetamide
CID 107686288
N-(3-chlorophenyl)-2-[2-fluoro-4-(hydroxymethyl)phenoxy]acetamide
CID 107690723
2-[2-ethoxy-4-(methylaminomethyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 19589313

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide (CID 107686457) is 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide is CNCc1ccc(OCC(=O)Nc2ccccc2)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide?
The InChIKey is ZXDDXBHUKFPOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-18-10-12-7-8-15(14(17)9-12)21-11-16(20)19-13-5-3-2-4-6-13/h2-9,18H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide?
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide has a molecular weight of 288.32 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide is sourced from PubChem (CID 107686457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).