(2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide

C20H24FNO2 — CID 8571270

IUPAC(2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide
SMILESC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1F
InChIInChI=1S/C20H24FNO2/c1-14(19(23)22-13-15-7-5-6-8-18(15)21)24-17-11-9-16(10-12-17)20(2,3)4/h5-12,14H,13H2,1-4H3,(H,22,23)/t14-/m0/s1
InChIKeyWVNVAQZICYGYRU-AWEZNQCLSA-N
MW329.42 g/mol
LogP4.21
Rot. Bonds5

About (2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide

(2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 8571270) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is (2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID8571270
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name(2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide
SMILESC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1F
InChIInChI=1S/C20H24FNO2/c1-14(19(23)22-13-15-7-5-6-8-18(15)21)24-17-11-9-16(10-12-17)20(2,3)4/h5-12,14H,13H2,1-4H3,(H,22,23)/t14-/m0/s1
InChIKeyWVNVAQZICYGYRU-AWEZNQCLSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-fluorophenyl)methyl]-2-(4-hydroxyphenoxy)propanamide
CID 56983513
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
2-(4-fluorophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 46654879
(2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 973402
2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146
2-(4-bromophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 43017424
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 17068382
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
(2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40609627
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 9492356
2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide
CID 133164114
(2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 40987219

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide (CID 8571270) is (2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide is C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1F.
What is the InChIKey of (2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is WVNVAQZICYGYRU-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-14(19(23)22-13-15-7-5-6-8-18(15)21)24-17-11-9-16(10-12-17)20(2,3)4/h5-12,14H,13H2,1-4H3,(H,22,23)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide?
(2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 329.42 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 8571270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).