2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide

C16H16FNO3 — CID 887507

IUPAC2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO3/c1-20-14-6-2-12(3-7-14)10-18-16(19)11-21-15-8-4-13(17)5-9-15/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyYLBQCBCCVOSCMT-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.53
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide

2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 887507) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID887507
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO3/c1-20-14-6-2-12(3-7-14)10-18-16(19)11-21-15-8-4-13(17)5-9-15/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyYLBQCBCCVOSCMT-UHFFFAOYSA-N
XLogP2.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide (CID 887507) is 2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)COc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is YLBQCBCCVOSCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-20-14-6-2-12(3-7-14)10-18-16(19)11-21-15-8-4-13(17)5-9-15/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 289.31 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 887507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).