(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide

C18H20FNO3 — CID 99130903

IUPAC(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H20FNO3/c1-3-17(23-16-10-8-15(22-2)9-11-16)18(21)20-12-13-4-6-14(19)7-5-13/h4-11,17H,3,12H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyHLERMMZOGFILBT-QGZVFWFLSA-N
MW317.36 g/mol
LogP3.31
Rot. Bonds7

About (2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide

(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide (PubChem CID 99130903) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is (2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide
PubChem CID99130903
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H20FNO3/c1-3-17(23-16-10-8-15(22-2)9-11-16)18(21)20-12-13-4-6-14(19)7-5-13/h4-11,17H,3,12H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyHLERMMZOGFILBT-QGZVFWFLSA-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-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 92683031
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 21368209
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53286217
(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 94018484
(2S)-2-(4-fluorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 30400873
N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 43915994
(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 99131487
(2S)-2-(4-methoxyphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015127
N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185836
2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53289156
(2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide
CID 124561354
(2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92674999

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide?
The IUPAC name of (2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide (CID 99130903) is (2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for (2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide?
The canonical SMILES for (2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide is CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of (2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide?
The InChIKey is HLERMMZOGFILBT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-3-17(23-16-10-8-15(22-2)9-11-16)18(21)20-12-13-4-6-14(19)7-5-13/h4-11,17H,3,12H2,1-2H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide?
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide 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-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 99130903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).