N-(2-fluorophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide

C16H16FNO4 — CID 1266147

IUPACN-(2-fluorophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CO)ccc1OCC(=O)Nc1ccccc1F
InChIInChI=1S/C16H16FNO4/c1-21-15-8-11(9-19)6-7-14(15)22-10-16(20)18-13-5-3-2-4-12(13)17/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyALDTXFNRJPHYBW-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.34
Rot. Bonds6

About N-(2-fluorophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide

N-(2-fluorophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide (PubChem CID 1266147) has the molecular formula C16H16FNO4 and a molecular weight of 305.31 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide
PubChem CID1266147
Molecular FormulaC16H16FNO4
Molecular Weight305.31 g/mol
Exact Mass305.11
IUPAC NameN-(2-fluorophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CO)ccc1OCC(=O)Nc1ccccc1F
InChIInChI=1S/C16H16FNO4/c1-21-15-8-11(9-19)6-7-14(15)22-10-16(20)18-13-5-3-2-4-12(13)17/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyALDTXFNRJPHYBW-UHFFFAOYSA-N
XLogP2.34
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide (CID 1266147) is N-(2-fluorophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide is COc1cc(CO)ccc1OCC(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide?
The InChIKey is ALDTXFNRJPHYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4/c1-21-15-8-11(9-19)6-7-14(15)22-10-16(20)18-13-5-3-2-4-12(13)17/h2-8,19H,9-10H2,1H3,(H,18,20).
What are the key properties of N-(2-fluorophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide?
N-(2-fluorophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide has a molecular weight of 305.31 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 1266147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).