N-(4-fluorophenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide

C17H16FNO5 — CID 28913369

IUPACN-(4-fluorophenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide
SMILESCOc1cc(C=O)cc(OC)c1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H16FNO5/c1-22-14-7-11(9-20)8-15(23-2)17(14)24-10-16(21)19-13-5-3-12(18)4-6-13/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyARRYZJCRZCRMOI-UHFFFAOYSA-N
MW333.32 g/mol
LogP2.67
Rot. Bonds7

About N-(4-fluorophenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide

N-(4-fluorophenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide (PubChem CID 28913369) has the molecular formula C17H16FNO5 and a molecular weight of 333.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide
PubChem CID28913369
Molecular FormulaC17H16FNO5
Molecular Weight333.32 g/mol
Exact Mass333.10
IUPAC NameN-(4-fluorophenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide
SMILESCOc1cc(C=O)cc(OC)c1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H16FNO5/c1-22-14-7-11(9-20)8-15(23-2)17(14)24-10-16(21)19-13-5-3-12(18)4-6-13/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyARRYZJCRZCRMOI-UHFFFAOYSA-N
XLogP2.67
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 21211286
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 19578086
N-(4-chlorophenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide
CID 17202159
N-(4-fluorophenyl)-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide
CID 3619627
N'-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126177833
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 45371704
N-[(E)-[3-bromo-4-[2-(4-fluoroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126248504
N-(2,4-dimethylphenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide
CID 28913315
2-(2,6-dimethoxyphenoxy)-N-(3-fluorophenyl)acetamide
CID 7612567
N'-[(Z)-[3-bromo-4-[2-(4-fluoroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-methyloxamide
CID 126157083
2-[4-[(1E,3Z,6E)-7-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]-3-hydroxy-5-oxohepta-1,3,6-trienyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 122190253
N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611543

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide (CID 28913369) is N-(4-fluorophenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide is COc1cc(C=O)cc(OC)c1OCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide?
The InChIKey is ARRYZJCRZCRMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO5/c1-22-14-7-11(9-20)8-15(23-2)17(14)24-10-16(21)19-13-5-3-12(18)4-6-13/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(4-fluorophenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide?
N-(4-fluorophenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide has a molecular weight of 333.32 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide is sourced from PubChem (CID 28913369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).