N-[(3-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide

C18H20FNO3 — CID 78765534

IUPACN-[(3-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
SMILESCOc1cc(C)ccc1OCC(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C18H20FNO3/c1-13-7-8-16(17(9-13)22-3)23-12-18(21)20(2)11-14-5-4-6-15(19)10-14/h4-10H,11-12H2,1-3H3
InChIKeyFOXKSAYZSSKPPX-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.18
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide

N-[(3-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide (PubChem CID 78765534) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
PubChem CID78765534
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
SMILESCOc1cc(C)ccc1OCC(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C18H20FNO3/c1-13-7-8-16(17(9-13)22-3)23-12-18(21)20(2)11-14-5-4-6-15(19)10-14/h4-10H,11-12H2,1-3H3
InChIKeyFOXKSAYZSSKPPX-UHFFFAOYSA-N
XLogP3.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(3-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide 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

2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 112777582
N-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
CID 78770504
2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 42989440
N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 60636361
2-(2-aminophenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 28801945
N-[(4-cyanophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
CID 39858381
2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112775473
3-(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986919
N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-propan-2-ylphenoxy)acetamide
CID 112778017
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxyphenoxy)-N-methylacetamide
CID 17489631
2-(2-methoxy-4-methylphenoxy)-N-methyl-N-phenylacetamide
CID 78765522
N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide
CID 110755450

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide (CID 78765534) is N-[(3-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide is COc1cc(C)ccc1OCC(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide?
The InChIKey is FOXKSAYZSSKPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-13-7-8-16(17(9-13)22-3)23-12-18(21)20(2)11-14-5-4-6-15(19)10-14/h4-10H,11-12H2,1-3H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide?
N-[(3-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide has a molecular weight of 317.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide is sourced from PubChem (CID 78765534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).