2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide

C21H19ClN2O2 — CID 24639231

IUPAC2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCC(NC(=O)COc1ccc(-c2ccccc2)cc1Cl)c1ccncc1
InChIInChI=1S/C21H19ClN2O2/c1-15(16-9-11-23-12-10-16)24-21(25)14-26-20-8-7-18(13-19(20)22)17-5-3-2-4-6-17/h2-13,15H,14H2,1H3,(H,24,25)
InChIKeyWEAZVFASYQDICE-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.66
Rot. Bonds6

About 2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide

2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide (PubChem CID 24639231) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide
PubChem CID24639231
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCC(NC(=O)COc1ccc(-c2ccccc2)cc1Cl)c1ccncc1
InChIInChI=1S/C21H19ClN2O2/c1-15(16-9-11-23-12-10-16)24-21(25)14-26-20-8-7-18(13-19(20)22)17-5-3-2-4-6-17/h2-13,15H,14H2,1H3,(H,24,25)
InChIKeyWEAZVFASYQDICE-UHFFFAOYSA-N
XLogP4.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-phenylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 134030744
2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 40585331
2-(2-formylphenoxy)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide
CID 166405139
2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
2-(2-benzylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 40585349
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 124550738
2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 124550737
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-phenylphenoxy)acetamide
CID 7948811
3-(2-chloro-4-fluorophenoxy)-N-(1-pyridin-4-ylethyl)propanamide
CID 87000643
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 7866101
N-[1-(4-tert-butylphenyl)ethyl]-2-(2-chlorophenoxy)acetamide
CID 132652703

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide (CID 24639231) is 2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide is CC(NC(=O)COc1ccc(-c2ccccc2)cc1Cl)c1ccncc1.
What is the InChIKey of 2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide?
The InChIKey is WEAZVFASYQDICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-15(16-9-11-23-12-10-16)24-21(25)14-26-20-8-7-18(13-19(20)22)17-5-3-2-4-6-17/h2-13,15H,14H2,1H3,(H,24,25).
What are the key properties of 2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide?
2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide has a molecular weight of 366.85 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 24639231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).