(2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide

C22H19Cl2NO3 — CID 7185213

IUPAC(2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
SMILESC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H19Cl2NO3/c1-15(28-21-13-17(23)7-12-20(21)24)22(26)25-18-8-10-19(11-9-18)27-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,25,26)/t15-/m0/s1
InChIKeyCSLOJLBOXMKSJC-HNNXBMFYSA-N
MW416.30 g/mol
LogP5.98
Rot. Bonds7

About (2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide

(2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 7185213) has the molecular formula C22H19Cl2NO3 and a molecular weight of 416.30 g/mol. Its IUPAC name is (2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID7185213
Molecular FormulaC22H19Cl2NO3
Molecular Weight416.30 g/mol
Exact Mass415.07
IUPAC Name(2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
SMILESC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H19Cl2NO3/c1-15(28-21-13-17(23)7-12-20(21)24)22(26)25-18-8-10-19(11-9-18)27-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,25,26)/t15-/m0/s1
InChIKeyCSLOJLBOXMKSJC-HNNXBMFYSA-N
XLogP5.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.30
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 9233741
(2S)-N-(3-chlorophenyl)-2-(4-phenylmethoxyphenoxy)propanamide
CID 7916093
(2R)-N-(4-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 92681869
(2R)-2-(2,5-dichlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2588733
(2R)-2-(2,5-dichlorophenoxy)-N-(4-fluorophenyl)propanamide
CID 7185247
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 3-chlorobenzoate
CID 7860029
2-(3-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 19203878
2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4947557
2-(4-acetylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4879204
2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 3295271
(2R)-2-(4-cyanophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 2541572
4-[[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]amino]benzamide
CID 2557704

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide (CID 7185213) is (2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide is C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is CSLOJLBOXMKSJC-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H19Cl2NO3/c1-15(28-21-13-17(23)7-12-20(21)24)22(26)25-18-8-10-19(11-9-18)27-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,25,26)/t15-/m0/s1.
What are the key properties of (2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide?
(2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 416.30 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 7185213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).