N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-formylphenoxy)acetamide

C22H18FNO4 — CID 60513959

IUPACN-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-formylphenoxy)acetamide
SMILESO=Cc1ccccc1OCC(=O)Nc1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C22H18FNO4/c23-18-7-4-9-20(12-18)27-14-16-5-3-8-19(11-16)24-22(26)15-28-21-10-2-1-6-17(21)13-25/h1-13H,14-15H2,(H,24,26)
InChIKeyVKNOXTRVLIKKJF-UHFFFAOYSA-N
MW379.39 g/mol
LogP4.23
Rot. Bonds8

About N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-formylphenoxy)acetamide

N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-formylphenoxy)acetamide (PubChem CID 60513959) has the molecular formula C22H18FNO4 and a molecular weight of 379.39 g/mol. Its IUPAC name is N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-formylphenoxy)acetamide
PubChem CID60513959
Molecular FormulaC22H18FNO4
Molecular Weight379.39 g/mol
Exact Mass379.12
IUPAC NameN-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-formylphenoxy)acetamide
SMILESO=Cc1ccccc1OCC(=O)Nc1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C22H18FNO4/c23-18-7-4-9-20(12-18)27-14-16-5-3-8-19(11-16)24-22(26)15-28-21-10-2-1-6-17(21)13-25/h1-13H,14-15H2,(H,24,26)
InChIKeyVKNOXTRVLIKKJF-UHFFFAOYSA-N
XLogP4.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide
CID 55761188
N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide
CID 16784462
2-(2-ethoxyphenoxy)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 55577983
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
N-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 7960384
2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
2-ethoxy-N-[2-[3-[(3-fluorophenoxy)methyl]anilino]-2-oxoethyl]benzamide
CID 38613975
N-(3-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 17085964
4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide
CID 120560905
2-(3-ethylphenoxy)-N-(3-fluorophenyl)acetamide
CID 2709979
N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-(2-nitrophenyl)acetamide
CID 52702165
N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 33271946

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-formylphenoxy)acetamide?
The IUPAC name of N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-formylphenoxy)acetamide (CID 60513959) is N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-formylphenoxy)acetamide.
What is the SMILES notation for N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-formylphenoxy)acetamide?
The canonical SMILES for N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-formylphenoxy)acetamide is O=Cc1ccccc1OCC(=O)Nc1cccc(COc2cccc(F)c2)c1.
What is the InChIKey of N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-formylphenoxy)acetamide?
The InChIKey is VKNOXTRVLIKKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO4/c23-18-7-4-9-20(12-18)27-14-16-5-3-8-19(11-16)24-22(26)15-28-21-10-2-1-6-17(21)13-25/h1-13H,14-15H2,(H,24,26).
What are the key properties of N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-formylphenoxy)acetamide?
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-formylphenoxy)acetamide has a molecular weight of 379.39 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-formylphenoxy)acetamide is sourced from PubChem (CID 60513959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).