(2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide

C18H19Cl2NO2 — CID 8604307

IUPAC(2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide
SMILESC[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](C)c1ccccc1
InChIInChI=1S/C18H19Cl2NO2/c1-12(14-7-4-3-5-8-14)11-21-18(22)13(2)23-16-10-6-9-15(19)17(16)20/h3-10,12-13H,11H2,1-2H3,(H,21,22)/t12-,13-/m0/s1
InChIKeySIYYDJJWYKKEHN-STQMWFEESA-N
MW352.26 g/mol
LogP4.68
Rot. Bonds6

About (2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide

(2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide (PubChem CID 8604307) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is (2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide
PubChem CID8604307
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name(2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide
SMILESC[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](C)c1ccccc1
InChIInChI=1S/C18H19Cl2NO2/c1-12(14-7-4-3-5-8-14)11-21-18(22)13(2)23-16-10-6-9-15(19)17(16)20/h3-10,12-13H,11H2,1-2H3,(H,21,22)/t12-,13-/m0/s1
InChIKeySIYYDJJWYKKEHN-STQMWFEESA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-benzyl-2-(2,3-dichlorophenoxy)propanamide
CID 7542636
2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752
2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 55686865
(2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide
CID 8708990
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471
4-[2-(2-chlorophenoxy)propanoylamino]-3-methoxybutanoic acid
CID 103152889
2-amino-N-(2-phenylpropyl)propanamide
CID 60703339
2-chloro-N-(2-phenylpropyl)propanamide
CID 4961581
(2R)-2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide
CID 39882116
2-[2-(2,3-dichlorophenoxy)propanoylamino]-2-methylbutanoic acid
CID 119199788
2-(3-acetylphenoxy)-N-(2-phenylpropyl)propanamide
CID 51141698
(2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 42563640

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide?
The IUPAC name of (2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide (CID 8604307) is (2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide.
What is the SMILES notation for (2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide?
The canonical SMILES for (2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide is C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](C)c1ccccc1.
What is the InChIKey of (2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide?
The InChIKey is SIYYDJJWYKKEHN-STQMWFEESA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-12(14-7-4-3-5-8-14)11-21-18(22)13(2)23-16-10-6-9-15(19)17(16)20/h3-10,12-13H,11H2,1-2H3,(H,21,22)/t12-,13-/m0/s1.
What are the key properties of (2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide?
(2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide has a molecular weight of 352.26 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide is sourced from PubChem (CID 8604307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).