2-(4-chloro-3-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide

C22H28ClNO2 — CID 16545130

IUPAC2-(4-chloro-3-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCCc1cc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1Cl
InChIInChI=1S/C22H28ClNO2/c1-6-16-12-17(10-11-20(16)23)26-13-21(25)24-22-18(14(2)3)8-7-9-19(22)15(4)5/h7-12,14-15H,6,13H2,1-5H3,(H,24,25)
InChIKeyPVCRURHUISKBOP-UHFFFAOYSA-N
MW373.92 g/mol
LogP6.17
Rot. Bonds7

About 2-(4-chloro-3-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-(4-chloro-3-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 16545130) has the molecular formula C22H28ClNO2 and a molecular weight of 373.92 g/mol. Its IUPAC name is 2-(4-chloro-3-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID16545130
Molecular FormulaC22H28ClNO2
Molecular Weight373.92 g/mol
Exact Mass373.18
IUPAC Name2-(4-chloro-3-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCCc1cc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1Cl
InChIInChI=1S/C22H28ClNO2/c1-6-16-12-17(10-11-20(16)23)26-13-21(25)24-22-18(14(2)3)8-7-9-19(22)15(4)5/h7-12,14-15H,6,13H2,1-5H3,(H,24,25)
InChIKeyPVCRURHUISKBOP-UHFFFAOYSA-N
XLogP6.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.92
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide
CID 84602074
2-(4-chloro-3-ethylphenoxy)-N-phenylacetamide
CID 7642625
2-(4-chloro-3-ethylphenoxy)-N-(2-methylphenyl)acetamide
CID 18074792
N-(3-bromophenyl)-2-(4-chloro-3-ethylphenoxy)acetamide
CID 7917215
N-[2,6-di(propan-2-yl)phenyl]-2-[(6-methyl-3-pyridinyl)oxy]acetamide
CID 71882804
2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7642640
2-(4-chloro-3-ethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 7642630
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821336
2-(3,5-dichlorophenoxy)-N-(2,6-diethylphenyl)acetamide
CID 7467237
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 29433605
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175939
2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 19203579

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-3-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 16545130) is 2-(4-chloro-3-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide is CCc1cc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is PVCRURHUISKBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClNO2/c1-6-16-12-17(10-11-20(16)23)26-13-21(25)24-22-18(14(2)3)8-7-9-19(22)15(4)5/h7-12,14-15H,6,13H2,1-5H3,(H,24,25).
What are the key properties of 2-(4-chloro-3-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide?
2-(4-chloro-3-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 373.92 g/mol, XLogP of 6.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 16545130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).