2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide

C17H18FNO4 — CID 2988456

IUPAC2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C17H18FNO4/c1-21-14-9-13(10-15(22-2)17(14)23-3)19-16(20)8-11-4-6-12(18)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,19,20)
InChIKeySPHQUKJRQUWLLX-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.03
Rot. Bonds6

About 2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 2988456) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID2988456
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C17H18FNO4/c1-21-14-9-13(10-15(22-2)17(14)23-3)19-16(20)8-11-4-6-12(18)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,19,20)
InChIKeySPHQUKJRQUWLLX-UHFFFAOYSA-N
XLogP3.03
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 2988456) is 2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)Cc2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of 2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is SPHQUKJRQUWLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-21-14-9-13(10-15(22-2)17(14)23-3)19-16(20)8-11-4-6-12(18)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 319.33 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 2988456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).