(2S)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide

C17H16Cl2FNO2 — CID 8580031

IUPAC(2S)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C17H16Cl2FNO2/c1-10(12-3-5-13(20)6-4-12)21-17(22)11(2)23-14-7-8-15(18)16(19)9-14/h3-11H,1-2H3,(H,21,22)/t10-,11-/m0/s1
InChIKeyMWHXAFWCFKBJPZ-QWRGUYRKSA-N
MW356.22 g/mol
LogP4.78
Rot. Bonds5

About (2S)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide

(2S)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide (PubChem CID 8580031) has the molecular formula C17H16Cl2FNO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is (2S)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
PubChem CID8580031
Molecular FormulaC17H16Cl2FNO2
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name(2S)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C17H16Cl2FNO2/c1-10(12-3-5-13(20)6-4-12)21-17(22)11(2)23-14-7-8-15(18)16(19)9-14/h3-11H,1-2H3,(H,21,22)/t10-,11-/m0/s1
InChIKeyMWHXAFWCFKBJPZ-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

(2S)-2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 8579899
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 8579894
N-[1-(4-cyanophenyl)ethyl]-2-(3,4-dichlorophenoxy)propanamide
CID 55793168
N-[1-(4-fluorophenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 46763869
(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 92538260
(2S)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 99132186
2-(4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 21173393
2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide
CID 47109802
(2S)-2-(6-bromonaphthalen-2-yl)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 7786780
(2S)-2-(2,3-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 7372385
(2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide
CID 28958208
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-chlorophenyl)ethyl]propanamide
CID 8751655

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide (CID 8580031) is (2S)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide is C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is MWHXAFWCFKBJPZ-QWRGUYRKSA-N. The full InChI is InChI=1S/C17H16Cl2FNO2/c1-10(12-3-5-13(20)6-4-12)21-17(22)11(2)23-14-7-8-15(18)16(19)9-14/h3-11H,1-2H3,(H,21,22)/t10-,11-/m0/s1.
What are the key properties of (2S)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide?
(2S)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]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)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 8580031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).