2-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide

C18H20ClNO2 — CID 16544805

IUPAC2-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NC(C)c1ccccc1C
InChIInChI=1S/C18H20ClNO2/c1-12-6-4-5-7-16(12)14(3)20-18(21)11-22-17-9-8-15(19)10-13(17)2/h4-10,14H,11H2,1-3H3,(H,20,21)
InChIKeyIFYGSMAAMCLRQC-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.21
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide (PubChem CID 16544805) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide
PubChem CID16544805
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NC(C)c1ccccc1C
InChIInChI=1S/C18H20ClNO2/c1-12-6-4-5-7-16(12)14(3)20-18(21)11-22-17-9-8-15(19)10-13(17)2/h4-10,14H,11H2,1-3H3,(H,20,21)
InChIKeyIFYGSMAAMCLRQC-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

2-(4-chloro-2-methylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7936549
N-[1-(2-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide
CID 24543941
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 7859030
2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 40585331
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
methyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-methylbutanoate
CID 43404158
2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327451
2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 43876879
(2S)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]butanedioic acid
CID 112732976
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9299910
2-(2-bromo-4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92683432

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide (CID 16544805) is 2-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)NC(C)c1ccccc1C.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide?
The InChIKey is IFYGSMAAMCLRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-12-6-4-5-7-16(12)14(3)20-18(21)11-22-17-9-8-15(19)10-13(17)2/h4-10,14H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)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-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 16544805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).