2-(4-acetylphenoxy)-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide

C20H22ClNO3 — CID 86954296

IUPAC2-(4-acetylphenoxy)-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)NC(c2ccccc2Cl)C(C)C)cc1
InChIInChI=1S/C20H22ClNO3/c1-13(2)20(17-6-4-5-7-18(17)21)22-19(24)12-25-16-10-8-15(9-11-16)14(3)23/h4-11,13,20H,12H2,1-3H3,(H,22,24)
InChIKeyXNAGUATVRKWSPK-UHFFFAOYSA-N
MW359.85 g/mol
LogP4.43
Rot. Bonds7

About 2-(4-acetylphenoxy)-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide

2-(4-acetylphenoxy)-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide (PubChem CID 86954296) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide
PubChem CID86954296
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name2-(4-acetylphenoxy)-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)NC(c2ccccc2Cl)C(C)C)cc1
InChIInChI=1S/C20H22ClNO3/c1-13(2)20(17-6-4-5-7-18(17)21)22-19(24)12-25-16-10-8-15(9-11-16)14(3)23/h4-11,13,20H,12H2,1-3H3,(H,22,24)
InChIKeyXNAGUATVRKWSPK-UHFFFAOYSA-N
XLogP4.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide
CID 17453100
2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119327061
2-(4-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 16546897
2-(4-acetylphenoxy)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 51295837
2-(4-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60625311
[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806377
2-(4-acetylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 51140295
2-(4-acetylphenoxy)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7763916
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855207
2-(4-methoxyphenoxy)-N-[(1R)-2-methyl-1-phenylpropyl]acetamide
CID 9050798
2-(4-acetylphenoxy)-N-[2-(2-chlorophenoxy)phenyl]acetamide
CID 26764312
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806359

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide (CID 86954296) is 2-(4-acetylphenoxy)-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide is CC(=O)c1ccc(OCC(=O)NC(c2ccccc2Cl)C(C)C)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide?
The InChIKey is XNAGUATVRKWSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-13(2)20(17-6-4-5-7-18(17)21)22-19(24)12-25-16-10-8-15(9-11-16)14(3)23/h4-11,13,20H,12H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-acetylphenoxy)-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide?
2-(4-acetylphenoxy)-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide has a molecular weight of 359.85 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 86954296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).