(2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide

C18H20FNO3 — CID 41187411

IUPAC(2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
SMILESCCOc1ccccc1O[C@H](C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H20FNO3/c1-3-22-16-6-4-5-7-17(16)23-13(2)18(21)20-12-14-8-10-15(19)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyNMUMWPOQEKXGLY-CYBMUJFWSA-N
MW317.36 g/mol
LogP3.31
Rot. Bonds7

About (2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide

(2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 41187411) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is (2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID41187411
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name(2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
SMILESCCOc1ccccc1O[C@H](C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H20FNO3/c1-3-22-16-6-4-5-7-17(16)23-13(2)18(21)20-12-14-8-10-15(19)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyNMUMWPOQEKXGLY-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

(2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 26529894
N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide
CID 43907670
(2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94018489
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-fluorophenoxy)propanamide
CID 46447315
(2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 9201112
(2R)-2-(2-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7892059
(2R)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxypropanamide
CID 94015852
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate
CID 46678709
(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide
CID 28567347
N-benzyl-2-(2-butan-2-ylphenoxy)propanamide
CID 17129862
2-(2-ethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133239774
1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3255337

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of (2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide (CID 41187411) is (2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide is CCOc1ccccc1O[C@H](C)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of (2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is NMUMWPOQEKXGLY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-3-22-16-6-4-5-7-17(16)23-13(2)18(21)20-12-14-8-10-15(19)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide?
(2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]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)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 41187411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).