N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide

C17H18FNO2 — CID 8636701

IUPACN-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCc2ccccc2F)cc1
InChIInChI=1S/C17H18FNO2/c1-21-15-8-6-13(7-9-15)12-17(20)19-11-10-14-4-2-3-5-16(14)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyKMEZBQWCBDPCPR-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.74
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide

N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 8636701) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID8636701
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCc2ccccc2F)cc1
InChIInChI=1S/C17H18FNO2/c1-21-15-8-6-13(7-9-15)12-17(20)19-11-10-14-4-2-3-5-16(14)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyKMEZBQWCBDPCPR-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide (CID 8636701) is N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCCc2ccccc2F)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is KMEZBQWCBDPCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-21-15-8-6-13(7-9-15)12-17(20)19-11-10-14-4-2-3-5-16(14)18/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 287.33 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 8636701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).