(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide

C17H16Cl2FNO2 — CID 7501082

IUPAC(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide
SMILESC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2FNO2/c1-10(13-8-7-12(18)9-14(13)19)21-17(22)11(2)23-16-6-4-3-5-15(16)20/h3-11H,1-2H3,(H,21,22)/t10-,11-/m0/s1
InChIKeyMYNMNNKACVGXTL-QWRGUYRKSA-N
MW356.22 g/mol
LogP4.78
Rot. Bonds5

About (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide

(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide (PubChem CID 7501082) has the molecular formula C17H16Cl2FNO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide
PubChem CID7501082
Molecular FormulaC17H16Cl2FNO2
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide
SMILESC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2FNO2/c1-10(13-8-7-12(18)9-14(13)19)21-17(22)11(2)23-16-6-4-3-5-15(16)20/h3-11H,1-2H3,(H,21,22)/t10-,11-/m0/s1
InChIKeyMYNMNNKACVGXTL-QWRGUYRKSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 7834441
(2R)-2-(2-acetamidophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2557949
(2S)-2-(2-cyanophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 7382543
(2R)-N-(2,4-dichlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815023
(2R)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 7865722
2-(3-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 55326168
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
(2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 887599
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 9087475
[(2R)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-1-oxopropan-2-yl] 2-phenylacetate
CID 7874941

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide?
The IUPAC name of (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide (CID 7501082) is (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide is C[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide?
The InChIKey is MYNMNNKACVGXTL-QWRGUYRKSA-N. The full InChI is InChI=1S/C17H16Cl2FNO2/c1-10(13-8-7-12(18)9-14(13)19)21-17(22)11(2)23-16-6-4-3-5-15(16)20/h3-11H,1-2H3,(H,21,22)/t10-,11-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide?
(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide has a molecular weight of 356.22 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide is sourced from PubChem (CID 7501082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).