2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(3-methylphenyl)acetamide

C18H20ClNO2 — CID 112978898

IUPAC2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)COc1ccc(Cl)cc1C)c1cccc(C)c1
InChIInChI=1S/C18H20ClNO2/c1-4-20(16-7-5-6-13(2)10-16)18(21)12-22-17-9-8-15(19)11-14(17)3/h5-11H,4,12H2,1-3H3
InChIKeyCJTLFISZLHDEEO-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.39
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(3-methylphenyl)acetamide

2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 112978898) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID112978898
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)COc1ccc(Cl)cc1C)c1cccc(C)c1
InChIInChI=1S/C18H20ClNO2/c1-4-20(16-7-5-6-13(2)10-16)18(21)12-22-17-9-8-15(19)11-14(17)3/h5-11H,4,12H2,1-3H3
InChIKeyCJTLFISZLHDEEO-UHFFFAOYSA-N
XLogP4.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
CID 112977302
2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)-N-propylacetamide
CID 17321195
2-(4-bromo-2-fluorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
CID 47024393
N-ethyl-N-(3-methylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 112977990
2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113171988
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide
CID 112978890
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17221916
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127504
2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 108998199

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(3-methylphenyl)acetamide (CID 112978898) is 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(3-methylphenyl)acetamide is CCN(C(=O)COc1ccc(Cl)cc1C)c1cccc(C)c1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is CJTLFISZLHDEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-4-20(16-7-5-6-13(2)10-16)18(21)12-22-17-9-8-15(19)11-14(17)3/h5-11H,4,12H2,1-3H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(3-methylphenyl)acetamide?
2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 317.82 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 112978898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).