(2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide

C17H18FNO2 — CID 99131609

IUPAC(2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H18FNO2/c1-3-13-6-4-5-7-16(13)21-12(2)17(20)19-15-10-8-14(18)9-11-15/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyAPGVZCRIAZZOAC-LBPRGKRZSA-N
MW287.33 g/mol
LogP3.79
Rot. Bonds5

About (2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide

(2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide (PubChem CID 99131609) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is (2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide
PubChem CID99131609
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name(2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H18FNO2/c1-3-13-6-4-5-7-16(13)21-12(2)17(20)19-15-10-8-14(18)9-11-15/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyAPGVZCRIAZZOAC-LBPRGKRZSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53284965
(2S)-2-(2-ethylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide
CID 92646395
2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 43886755
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058
(2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 28564810
(2R)-2-(2-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 92682028
(2R)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 94027173
2-(2-ethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133239774
(2R)-2-(2-ethylphenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 30380711
2-(2,3-dichlorophenoxy)-N-(4-fluorophenyl)propanamide
CID 42990420
(2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 92685232
(2R)-2-(2-ethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 92671770

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide (CID 99131609) is (2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide is CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide?
The InChIKey is APGVZCRIAZZOAC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-3-13-6-4-5-7-16(13)21-12(2)17(20)19-15-10-8-14(18)9-11-15/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide?
(2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide has a molecular weight of 287.33 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 99131609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).