N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide

C18H20FNO3 — CID 2729550

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
SMILESCOc1ccc(CCNC(=O)Cc2ccccc2F)cc1OC
InChIInChI=1S/C18H20FNO3/c1-22-16-8-7-13(11-17(16)23-2)9-10-20-18(21)12-14-5-3-4-6-15(14)19/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyQUSFNSPHDOGMTH-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.74
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide (PubChem CID 2729550) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
PubChem CID2729550
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
SMILESCOc1ccc(CCNC(=O)Cc2ccccc2F)cc1OC
InChIInChI=1S/C18H20FNO3/c1-22-16-8-7-13(11-17(16)23-2)9-10-20-18(21)12-14-5-3-4-6-15(14)19/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyQUSFNSPHDOGMTH-UHFFFAOYSA-N
XLogP2.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide (CID 2729550) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide is COc1ccc(CCNC(=O)Cc2ccccc2F)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is QUSFNSPHDOGMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-22-16-8-7-13(11-17(16)23-2)9-10-20-18(21)12-14-5-3-4-6-15(14)19/h3-8,11H,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 317.36 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 2729550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).