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

C17H18FNO3 — CID 27256771

IUPAC2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C17H18FNO3/c1-21-15-8-5-13(16(10-15)22-2)9-17(20)19-11-12-3-6-14(18)7-4-12/h3-8,10H,9,11H2,1-2H3,(H,19,20)
InChIKeyVBEZLCXRSZQBCN-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.70
Rot. Bonds6

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

2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 27256771) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID27256771
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C17H18FNO3/c1-21-15-8-5-13(16(10-15)22-2)9-17(20)19-11-12-3-6-14(18)7-4-12/h3-8,10H,9,11H2,1-2H3,(H,19,20)
InChIKeyVBEZLCXRSZQBCN-UHFFFAOYSA-N
XLogP2.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 9428047
2-(2,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9427593
2-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)acetamide
CID 9400761
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 9192585
N'-[2-(2,5-dimethoxyphenyl)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 78822007
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 39971219
2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 30843339
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
N-(cyanomethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 96660716
2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932
N-[(2,4-difluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 110782201
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide (CID 27256771) is 2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide is COc1ccc(CC(=O)NCc2ccc(F)cc2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is VBEZLCXRSZQBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-21-15-8-5-13(16(10-15)22-2)9-17(20)19-11-12-3-6-14(18)7-4-12/h3-8,10H,9,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 303.33 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 27256771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).