N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenoxy)propanamide

C17H18FNO3 — CID 4789934

IUPACN-[(4-fluorophenyl)methyl]-3-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OCCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H18FNO3/c1-21-15-4-2-3-5-16(15)22-11-10-17(20)19-12-13-6-8-14(18)9-7-13/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyVRVFXGYACJTLAJ-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.92
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenoxy)propanamide

N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenoxy)propanamide (PubChem CID 4789934) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(2-methoxyphenoxy)propanamide
PubChem CID4789934
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OCCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H18FNO3/c1-21-15-4-2-3-5-16(15)22-11-10-17(20)19-12-13-6-8-14(18)9-7-13/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyVRVFXGYACJTLAJ-UHFFFAOYSA-N
XLogP2.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]acetamide
CID 60517286
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide
CID 51143155
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenoxy)propanamide
CID 2081460
3-(2-methoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 134056529
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26266195
1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one
CID 43793632
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
3-(2-methoxyphenoxy)-N-prop-2-enylpropanamide
CID 17034572
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenoxy)propanamide;hydrochloride
CID 119548049
N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 5216116

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenoxy)propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenoxy)propanamide (CID 4789934) is N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenoxy)propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenoxy)propanamide is COc1ccccc1OCCC(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenoxy)propanamide?
The InChIKey is VRVFXGYACJTLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-21-15-4-2-3-5-16(15)22-11-10-17(20)19-12-13-6-8-14(18)9-7-13/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenoxy)propanamide?
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenoxy)propanamide has a molecular weight of 303.33 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenoxy)propanamide is sourced from PubChem (CID 4789934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).