N-[2-(3-chlorophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide

C19H22ClNO2 — CID 39731176

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C19H22ClNO2/c1-14(2)17-8-3-4-9-18(17)23-13-19(22)21-11-10-15-6-5-7-16(20)12-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,22)
InChIKeyCKMJLWSBXBCFDH-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.20
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide

N-[2-(3-chlorophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 39731176) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID39731176
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C19H22ClNO2/c1-14(2)17-8-3-4-9-18(17)23-13-19(22)21-11-10-15-6-5-7-16(20)12-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,22)
InChIKeyCKMJLWSBXBCFDH-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 112977430
2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
CID 17233327
N-[2-(3-chlorophenyl)ethyl]-2-[[2-(2-methoxyphenoxy)acetyl]amino]acetamide
CID 112995842
N-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103919361
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971
2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid
CID 107832254
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
N-[2-(3-chlorophenyl)ethyl]-2-[1-(2-chlorophenyl)ethylamino]acetamide
CID 18088218
N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 113238561
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea
CID 17283504
N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54785981

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide (CID 39731176) is N-[2-(3-chlorophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide is CC(C)c1ccccc1OCC(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is CKMJLWSBXBCFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-14(2)17-8-3-4-9-18(17)23-13-19(22)21-11-10-15-6-5-7-16(20)12-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide?
N-[2-(3-chlorophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 331.84 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 39731176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).