(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide

C18H20FNO3 — CID 28567347

IUPAC(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide
SMILESCCOc1cccc(CNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1
InChIInChI=1S/C18H20FNO3/c1-3-22-17-6-4-5-14(11-17)12-20-18(21)13(2)23-16-9-7-15(19)8-10-16/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyRRBXHXKCKGIVEE-CYBMUJFWSA-N
MW317.36 g/mol
LogP3.31
Rot. Bonds7

About (2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide

(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide (PubChem CID 28567347) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is (2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide
PubChem CID28567347
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide
SMILESCCOc1cccc(CNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1
InChIInChI=1S/C18H20FNO3/c1-3-22-17-6-4-5-14(11-17)12-20-18(21)13(2)23-16-9-7-15(19)8-10-16/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyRRBXHXKCKGIVEE-CYBMUJFWSA-N
XLogP3.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
N-[(3-ethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide
CID 46770916
N-[(3-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235704
(2S)-2-(2,3-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 99131504
N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)acetamide
CID 53288657
4-[(3-ethoxyphenyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496650
(2S)-2-(2,4-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 99132247
(2S)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40624060
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide
CID 46447315
(2R)-N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 92675443
(2R)-N'-[2-(3-ethylphenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368194
(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide
CID 99133064

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide?
The IUPAC name of (2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide (CID 28567347) is (2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for (2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide is CCOc1cccc(CNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1.
What is the InChIKey of (2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide?
The InChIKey is RRBXHXKCKGIVEE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-3-22-17-6-4-5-14(11-17)12-20-18(21)13(2)23-16-9-7-15(19)8-10-16/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide?
(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide has a molecular weight of 317.36 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 28567347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).