N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide

C16H16FNO4 — CID 2711600

IUPACN-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide
SMILESCOc1ccc(NC(=O)COc2cccc(F)c2)cc1OC
InChIInChI=1S/C16H16FNO4/c1-20-14-7-6-12(9-15(14)21-2)18-16(19)10-22-13-5-3-4-11(17)8-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyVTWYGKWCIPBLQW-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.86
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide

N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide (PubChem CID 2711600) has the molecular formula C16H16FNO4 and a molecular weight of 305.31 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide
PubChem CID2711600
Molecular FormulaC16H16FNO4
Molecular Weight305.31 g/mol
Exact Mass305.11
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide
SMILESCOc1ccc(NC(=O)COc2cccc(F)c2)cc1OC
InChIInChI=1S/C16H16FNO4/c1-20-14-7-6-12(9-15(14)21-2)18-16(19)10-22-13-5-3-4-11(17)8-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyVTWYGKWCIPBLQW-UHFFFAOYSA-N
XLogP2.86
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 112977639
N-(3,5-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 16545555
methyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
CID 7834630
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2710232
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19174454
2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 2303718
2-(2,6-dimethoxyphenoxy)-N-(3-fluorophenyl)acetamide
CID 7612567
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 51233943
N-(3,4-dimethoxyphenyl)-2-pyrimidin-2-yloxyacetamide
CID 121086700
N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide
CID 16784462

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide (CID 2711600) is N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide is COc1ccc(NC(=O)COc2cccc(F)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide?
The InChIKey is VTWYGKWCIPBLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4/c1-20-14-7-6-12(9-15(14)21-2)18-16(19)10-22-13-5-3-4-11(17)8-13/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide?
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide has a molecular weight of 305.31 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 2711600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).