2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C18H20FNO5 — CID 9012523

IUPAC2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)COc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C18H20FNO5/c1-22-15-8-12(9-16(23-2)18(15)24-3)10-20-17(21)11-25-14-6-4-13(19)5-7-14/h4-9H,10-11H2,1-3H3,(H,20,21)
InChIKeyOYMLDGXXBDADMA-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.55
Rot. Bonds8

About 2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 9012523) has the molecular formula C18H20FNO5 and a molecular weight of 349.36 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID9012523
Molecular FormulaC18H20FNO5
Molecular Weight349.36 g/mol
Exact Mass349.13
IUPAC Name2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)COc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C18H20FNO5/c1-22-15-8-12(9-16(23-2)18(15)24-3)10-20-17(21)11-25-14-6-4-13(19)5-7-14/h4-9H,10-11H2,1-3H3,(H,20,21)
InChIKeyOYMLDGXXBDADMA-UHFFFAOYSA-N
XLogP2.55
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyclohexylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 1277920
(E)-N-hydroxy-3-[4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]phenyl]prop-2-enamide
CID 24988428
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34964094
2-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 48850427
4-(4-fluorophenyl)-4-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 9483235
2-(N-ethyl-4-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 55446177
2-(4-fluorophenoxy)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]acetamide
CID 110782859
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide
CID 9012519
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164
N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)acetamide
CID 53288657
2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]-5-methoxybenzoic acid
CID 45419477
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 121137422

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 9012523) is 2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)COc2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is OYMLDGXXBDADMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO5/c1-22-15-8-12(9-16(23-2)18(15)24-3)10-20-17(21)11-25-14-6-4-13(19)5-7-14/h4-9H,10-11H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 349.36 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 9012523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).