N-benzyl-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxyethyl)acetamide

C25H24FNO4 — CID 9289798

IUPACN-benzyl-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1ccccc1)C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H24FNO4/c1-30-16-15-27(17-19-5-3-2-4-6-19)24(28)18-31-23-13-9-21(10-14-23)25(29)20-7-11-22(26)12-8-20/h2-14H,15-18H2,1H3
InChIKeyJTHOXACYLWQLBE-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.11
Rot. Bonds10

About N-benzyl-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxyethyl)acetamide

N-benzyl-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxyethyl)acetamide (PubChem CID 9289798) has the molecular formula C25H24FNO4 and a molecular weight of 421.47 g/mol. Its IUPAC name is N-benzyl-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxyethyl)acetamide
PubChem CID9289798
Molecular FormulaC25H24FNO4
Molecular Weight421.47 g/mol
Exact Mass421.17
IUPAC NameN-benzyl-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1ccccc1)C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H24FNO4/c1-30-16-15-27(17-19-5-3-2-4-6-19)24(28)18-31-23-13-9-21(10-14-23)25(29)20-7-11-22(26)12-8-20/h2-14H,15-18H2,1H3
InChIKeyJTHOXACYLWQLBE-UHFFFAOYSA-N
XLogP4.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 78781458
dimethyl 5-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylate
CID 8885961
N,N-diethyl-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 78760744
2-(2-acetamidophenoxy)-N-benzyl-N-(2-methoxyethyl)acetamide
CID 9017946
bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone
CID 90685991
3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide
CID 37324442
N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide
CID 46805536
2-(4-benzoylphenoxy)-N,N-bis(2-hydroxyethyl)acetamide
CID 58434171
N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide
CID 80633118
N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide
CID 22660909
N-[(4-fluorophenyl)methyl]-N-(2-phenoxyethyl)acetamide
CID 22660942
N,N-dibenzyl-2-[4-(2-ethoxyethoxy)phenoxy]acetamide
CID 4732976

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-benzyl-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxyethyl)acetamide (CID 9289798) is N-benzyl-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-benzyl-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxyethyl)acetamide is COCCN(Cc1ccccc1)C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-benzyl-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxyethyl)acetamide?
The InChIKey is JTHOXACYLWQLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO4/c1-30-16-15-27(17-19-5-3-2-4-6-19)24(28)18-31-23-13-9-21(10-14-23)25(29)20-7-11-22(26)12-8-20/h2-14H,15-18H2,1H3.
What are the key properties of N-benzyl-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxyethyl)acetamide?
N-benzyl-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxyethyl)acetamide has a molecular weight of 421.47 g/mol, XLogP of 4.11, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 9289798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).