N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide

C18H20FNO4 — CID 51143155

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide
SMILESCOc1ccc(CNC(=O)CCOc2ccccc2F)cc1OC
InChIInChI=1S/C18H20FNO4/c1-22-16-8-7-13(11-17(16)23-2)12-20-18(21)9-10-24-15-6-4-3-5-14(15)19/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyDNQMMGJDVAXXIU-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.93
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide

N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide (PubChem CID 51143155) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide
PubChem CID51143155
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide
SMILESCOc1ccc(CNC(=O)CCOc2ccccc2F)cc1OC
InChIInChI=1S/C18H20FNO4/c1-22-16-8-7-13(11-17(16)23-2)12-20-18(21)9-10-24-15-6-4-3-5-14(15)19/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyDNQMMGJDVAXXIU-UHFFFAOYSA-N
XLogP2.93
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenoxy)propanamide
CID 4789934
N-[(3-chlorophenyl)methyl]-3-(2-fluorophenoxy)propanamide
CID 51158751
N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide
CID 108946228
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide
CID 99817873
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenoxy)propanamide
CID 2081460
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
CID 110755878
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide
CID 48586236
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9245794
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide (CID 51143155) is N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide is COc1ccc(CNC(=O)CCOc2ccccc2F)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide?
The InChIKey is DNQMMGJDVAXXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-22-16-8-7-13(11-17(16)23-2)12-20-18(21)9-10-24-15-6-4-3-5-14(15)19/h3-8,11H,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide has a molecular weight of 333.36 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide is sourced from PubChem (CID 51143155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).