2-(4-chlorophenyl)-N-[2-(2,4,6-trimethylphenoxy)ethyl]acetamide

C19H22ClNO2 — CID 113101342

IUPAC2-(4-chlorophenyl)-N-[2-(2,4,6-trimethylphenoxy)ethyl]acetamide
SMILESCc1cc(C)c(OCCNC(=O)Cc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C19H22ClNO2/c1-13-10-14(2)19(15(3)11-13)23-9-8-21-18(22)12-16-4-6-17(20)7-5-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyIBPSEVQFICIZRM-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.00
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[2-(2,4,6-trimethylphenoxy)ethyl]acetamide

2-(4-chlorophenyl)-N-[2-(2,4,6-trimethylphenoxy)ethyl]acetamide (PubChem CID 113101342) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(2,4,6-trimethylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(2,4,6-trimethylphenoxy)ethyl]acetamide
PubChem CID113101342
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name2-(4-chlorophenyl)-N-[2-(2,4,6-trimethylphenoxy)ethyl]acetamide
SMILESCc1cc(C)c(OCCNC(=O)Cc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C19H22ClNO2/c1-13-10-14(2)19(15(3)11-13)23-9-8-21-18(22)12-16-4-6-17(20)7-5-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyIBPSEVQFICIZRM-UHFFFAOYSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]acetamide
CID 113102048
2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide
CID 113102620
2,3,4-trifluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide
CID 113101359
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108572637
1-(3-chlorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974633
1-[(2-chlorophenyl)methyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974570
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 113102946
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide
CID 113103060
1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974537
2-phenyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101115
N-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 113099571

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(2,4,6-trimethylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(2,4,6-trimethylphenoxy)ethyl]acetamide (CID 113101342) is 2-(4-chlorophenyl)-N-[2-(2,4,6-trimethylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(2,4,6-trimethylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(2,4,6-trimethylphenoxy)ethyl]acetamide is Cc1cc(C)c(OCCNC(=O)Cc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(2,4,6-trimethylphenoxy)ethyl]acetamide?
The InChIKey is IBPSEVQFICIZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-13-10-14(2)19(15(3)11-13)23-9-8-21-18(22)12-16-4-6-17(20)7-5-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(2,4,6-trimethylphenoxy)ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-(2,4,6-trimethylphenoxy)ethyl]acetamide has a molecular weight of 331.84 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(2,4,6-trimethylphenoxy)ethyl]acetamide is sourced from PubChem (CID 113101342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).