2-(2-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide

C18H20ClNO2 — CID 17327655

IUPAC2-(2-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)COc2ccccc2Cl)c(C)c1
InChIInChI=1S/C18H20ClNO2/c1-12-8-9-15(13(2)10-12)14(3)20-18(21)11-22-17-7-5-4-6-16(17)19/h4-10,14H,11H2,1-3H3,(H,20,21)
InChIKeyKPEMBWORTFIRJG-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.21
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide

2-(2-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide (PubChem CID 17327655) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
PubChem CID17327655
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-(2-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)COc2ccccc2Cl)c(C)c1
InChIInChI=1S/C18H20ClNO2/c1-12-8-9-15(13(2)10-12)14(3)20-18(21)11-22-17-7-5-4-6-16(17)19/h4-10,14H,11H2,1-3H3,(H,20,21)
InChIKeyKPEMBWORTFIRJG-UHFFFAOYSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide
CID 24543941
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 94843755
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 92675059
2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 43876879
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 3325652
(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
CID 94020068
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
2-(2-bromo-4-ethylphenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 43875399
2-(2-chloro-5-methylphenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 24550405
2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327451
[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 42978732
2-(2-chlorophenoxy)-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 51187818

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide (CID 17327655) is 2-(2-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide is Cc1ccc(C(C)NC(=O)COc2ccccc2Cl)c(C)c1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide?
The InChIKey is KPEMBWORTFIRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-12-8-9-15(13(2)10-12)14(3)20-18(21)11-22-17-7-5-4-6-16(17)19/h4-10,14H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-(2-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide?
2-(2-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide has a molecular weight of 317.82 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 17327655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).