N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide

C19H22FNO3 — CID 46447315

IUPACN-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide
SMILESCCOCc1ccc(CNC(=O)C(C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO3/c1-3-23-13-16-6-4-15(5-7-16)12-21-19(22)14(2)24-18-10-8-17(20)9-11-18/h4-11,14H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyVHJKKWZAPRXKLO-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.45
Rot. Bonds8

About N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide

N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide (PubChem CID 46447315) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide
PubChem CID46447315
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC NameN-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide
SMILESCCOCc1ccc(CNC(=O)C(C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO3/c1-3-23-13-16-6-4-15(5-7-16)12-21-19(22)14(2)24-18-10-8-17(20)9-11-18/h4-11,14H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyVHJKKWZAPRXKLO-UHFFFAOYSA-N
XLogP3.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 42960788
methyl 4-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]benzoate
CID 40881969
2-(4-fluorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 46420429
(2R)-2-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 1083198
2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 43042680
(2S)-2-(4-fluorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31591923
(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide
CID 28567347
(2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 41187411
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133199284
(2R)-N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 92675443

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide?
The IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide (CID 46447315) is N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide is CCOCc1ccc(CNC(=O)C(C)Oc2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide?
The InChIKey is VHJKKWZAPRXKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-3-23-13-16-6-4-15(5-7-16)12-21-19(22)14(2)24-18-10-8-17(20)9-11-18/h4-11,14H,3,12-13H2,1-2H3,(H,21,22).
What are the key properties of N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide?
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide has a molecular weight of 331.39 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 46447315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).