2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenyl)-2-oxoethyl]acetamide

C20H22ClNO3 — CID 11710214

IUPAC2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenyl)-2-oxoethyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NCC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C20H22ClNO3/c1-20(2,3)14-8-10-15(11-9-14)25-13-19(24)22-12-18(23)16-6-4-5-7-17(16)21/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyKRMYRONDGPCNSS-UHFFFAOYSA-N
MW359.85 g/mol
LogP4.02
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenyl)-2-oxoethyl]acetamide

2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenyl)-2-oxoethyl]acetamide (PubChem CID 11710214) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenyl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenyl)-2-oxoethyl]acetamide
PubChem CID11710214
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenyl)-2-oxoethyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NCC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C20H22ClNO3/c1-20(2,3)14-8-10-15(11-9-14)25-13-19(24)22-12-18(23)16-6-4-5-7-17(16)21/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyKRMYRONDGPCNSS-UHFFFAOYSA-N
XLogP4.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone
CID 43412130
2-(4-tert-butylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide
CID 143180145
N-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide
CID 23796445
2-(4-tert-butylphenoxy)-N-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]acetamide
CID 11559184
N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide
CID 27861720
4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 3286978
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 7779481
N-(2-amino-6-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 91689044
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide
CID 58856613
[4-[(Z)-[[2-(4-tert-butylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 31087564
2-chloro-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 46461477

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenyl)-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenyl)-2-oxoethyl]acetamide (CID 11710214) is 2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenyl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenyl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenyl)-2-oxoethyl]acetamide is CC(C)(C)c1ccc(OCC(=O)NCC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenyl)-2-oxoethyl]acetamide?
The InChIKey is KRMYRONDGPCNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-20(2,3)14-8-10-15(11-9-14)25-13-19(24)22-12-18(23)16-6-4-5-7-17(16)21/h4-11H,12-13H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenyl)-2-oxoethyl]acetamide?
2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenyl)-2-oxoethyl]acetamide has a molecular weight of 359.85 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenyl)-2-oxoethyl]acetamide is sourced from PubChem (CID 11710214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).