2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide

C18H19Cl2NO2 — CID 17328353

IUPAC2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)COc1cc(Cl)ccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-3-16(13-6-4-12(2)5-7-13)21-18(22)11-23-17-10-14(19)8-9-15(17)20/h4-10,16H,3,11H2,1-2H3,(H,21,22)
InChIKeyGGMFTHXTISRIQA-UHFFFAOYSA-N
MW352.26 g/mol
LogP4.95
Rot. Bonds6

About 2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide

2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide (PubChem CID 17328353) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
PubChem CID17328353
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)COc1cc(Cl)ccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-3-16(13-6-4-12(2)5-7-13)21-18(22)11-23-17-10-14(19)8-9-15(17)20/h4-10,16H,3,11H2,1-2H3,(H,21,22)
InChIKeyGGMFTHXTISRIQA-UHFFFAOYSA-N
XLogP4.95
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 ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7794652
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
CID 17328371
methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(4-methylphenyl)propanoate
CID 55440377
2-(2,5-dichlorophenoxy)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 110931209
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 7865822
2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide
CID 99993791
2-(2-bromo-4-ethylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
CID 46764494
N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide
CID 60623539
2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 99993779
2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]butanoic acid
CID 43387304
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 8021536
2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 94014639

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide (CID 17328353) is 2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide is CCC(NC(=O)COc1cc(Cl)ccc1Cl)c1ccc(C)cc1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide?
The InChIKey is GGMFTHXTISRIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-3-16(13-6-4-12(2)5-7-13)21-18(22)11-23-17-10-14(19)8-9-15(17)20/h4-10,16H,3,11H2,1-2H3,(H,21,22).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide?
2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide has a molecular weight of 352.26 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 17328353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).