(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide

C19H22FNO3 — CID 92683031

IUPAC(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C19H22FNO3/c1-3-18(24-17-10-6-15(20)7-11-17)19(22)21-13-12-14-4-8-16(23-2)9-5-14/h4-11,18H,3,12-13H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyZKQBEASTLKBKMO-SFHVURJKSA-N
MW331.39 g/mol
LogP3.35
Rot. Bonds8

About (2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide

(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide (PubChem CID 92683031) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
PubChem CID92683031
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C19H22FNO3/c1-3-18(24-17-10-6-15(20)7-11-17)19(22)21-13-12-14-4-8-16(23-2)9-5-14/h4-11,18H,3,12-13H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyZKQBEASTLKBKMO-SFHVURJKSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 46771830
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide
CID 99130903
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 93486822
(2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 99951781
(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
CID 99952431
(2R)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635444
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635445
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide
CID 132655794
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
(2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 94012280
(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 99817878
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 133211109

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide (CID 92683031) is (2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide is CC[C@H](Oc1ccc(F)cc1)C(=O)NCCc1ccc(OC)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide?
The InChIKey is ZKQBEASTLKBKMO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-3-18(24-17-10-6-15(20)7-11-17)19(22)21-13-12-14-4-8-16(23-2)9-5-14/h4-11,18H,3,12-13H2,1-2H3,(H,21,22)/t18-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide?
(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide has a molecular weight of 331.39 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 92683031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).