N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide

C24H23FN2O3 — CID 9289828

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
SMILESCN(C)c1ccc(CNC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H23FN2O3/c1-27(2)21-11-3-17(4-12-21)15-26-23(28)16-30-22-13-7-19(8-14-22)24(29)18-5-9-20(25)10-6-18/h3-14H,15-16H2,1-2H3,(H,26,28)
InChIKeyNEKWPZGIBCQNNY-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.82
Rot. Bonds8

About N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide

N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide (PubChem CID 9289828) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
PubChem CID9289828
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
SMILESCN(C)c1ccc(CNC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H23FN2O3/c1-27(2)21-11-3-17(4-12-21)15-26-23(28)16-30-22-13-7-19(8-14-22)24(29)18-5-9-20(25)10-6-18/h3-14H,15-16H2,1-2H3,(H,26,28)
InChIKeyNEKWPZGIBCQNNY-UHFFFAOYSA-N
XLogP3.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide
CID 9012519
2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 17427764
N-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 7795142
2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052645
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519513
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678473
2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 2427182
2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 108997892
2-[4-(4-fluorobenzoyl)phenoxy]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 9289810
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 122322502
[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7261239

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide (CID 9289828) is N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide is CN(C)c1ccc(CNC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide?
The InChIKey is NEKWPZGIBCQNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-27(2)21-11-3-17(4-12-21)15-26-23(28)16-30-22-13-7-19(8-14-22)24(29)18-5-9-20(25)10-6-18/h3-14H,15-16H2,1-2H3,(H,26,28).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide has a molecular weight of 406.46 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide is sourced from PubChem (CID 9289828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).