2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide

C19H21Cl2NO4 — CID 99993791

IUPAC2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide
SMILESCC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H21Cl2NO4/c1-4-15(12-5-7-17(24-2)18(9-12)25-3)22-19(23)11-26-16-8-6-13(20)10-14(16)21/h5-10,15H,4,11H2,1-3H3,(H,22,23)/t15-/m0/s1
InChIKeyVVWQCOXGWUGCFE-HNNXBMFYSA-N
MW398.29 g/mol
LogP4.66
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide

2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide (PubChem CID 99993791) has the molecular formula C19H21Cl2NO4 and a molecular weight of 398.29 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide
PubChem CID99993791
Molecular FormulaC19H21Cl2NO4
Molecular Weight398.29 g/mol
Exact Mass397.08
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide
SMILESCC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H21Cl2NO4/c1-4-15(12-5-7-17(24-2)18(9-12)25-3)22-19(23)11-26-16-8-6-13(20)10-14(16)21/h5-10,15H,4,11H2,1-3H3,(H,22,23)/t15-/m0/s1
InChIKeyVVWQCOXGWUGCFE-HNNXBMFYSA-N
XLogP4.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94050777
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide
CID 99993393
methyl 3-(3,4-dimethoxyphenyl)-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoate
CID 55440558
2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 28958551
2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
CID 17328353
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide
CID 132653917
methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(4-methylphenyl)propanoate
CID 55440377
2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 99993779
2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133251910
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
CID 1107945
3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 100648795
2-(2,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100761254

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide (CID 99993791) is 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide is CC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide?
The InChIKey is VVWQCOXGWUGCFE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21Cl2NO4/c1-4-15(12-5-7-17(24-2)18(9-12)25-3)22-19(23)11-26-16-8-6-13(20)10-14(16)21/h5-10,15H,4,11H2,1-3H3,(H,22,23)/t15-/m0/s1.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide has a molecular weight of 398.29 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide is sourced from PubChem (CID 99993791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).