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

C17H19FN2O2 — CID 9012519

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide
SMILESCN(C)c1ccc(CNC(=O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FN2O2/c1-20(2)15-7-3-13(4-8-15)11-19-17(21)12-22-16-9-5-14(18)6-10-16/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyJCENYUOSQPZDSC-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.59
Rot. Bonds6

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

N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 9012519) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide
PubChem CID9012519
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide
SMILESCN(C)c1ccc(CNC(=O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FN2O2/c1-20(2)15-7-3-13(4-8-15)11-19-17(21)12-22-16-9-5-14(18)6-10-16/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyJCENYUOSQPZDSC-UHFFFAOYSA-N
XLogP2.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 9289828
2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 17427764
2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052645
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 108997892
2-(4-fluorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 50945079
2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9012523
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-hydroxy-N-methylacetamide
CID 166263356
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 122354280
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 122322502
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate
CID 2506688
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678473

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide (CID 9012519) is N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide is CN(C)c1ccc(CNC(=O)COc2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is JCENYUOSQPZDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-20(2)15-7-3-13(4-8-15)11-19-17(21)12-22-16-9-5-14(18)6-10-16/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 302.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 9012519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).