2-(2-acetyl-4-chlorophenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide

C20H22ClNO3 — CID 7167630

IUPAC2-(2-acetyl-4-chlorophenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2C(C)=O)cc1
InChIInChI=1S/C20H22ClNO3/c1-4-15-5-7-16(8-6-15)13(2)22-20(24)12-25-19-10-9-17(21)11-18(19)14(3)23/h5-11,13H,4,12H2,1-3H3,(H,22,24)/t13-/m0/s1
InChIKeyZKFSWOQIXMTRGC-ZDUSSCGKSA-N
MW359.85 g/mol
LogP4.36
Rot. Bonds7

About 2-(2-acetyl-4-chlorophenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide

2-(2-acetyl-4-chlorophenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide (PubChem CID 7167630) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 2-(2-acetyl-4-chlorophenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-chlorophenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
PubChem CID7167630
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name2-(2-acetyl-4-chlorophenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2C(C)=O)cc1
InChIInChI=1S/C20H22ClNO3/c1-4-15-5-7-16(8-6-15)13(2)22-20(24)12-25-19-10-9-17(21)11-18(19)14(3)23/h5-11,13H,4,12H2,1-3H3,(H,22,24)/t13-/m0/s1
InChIKeyZKFSWOQIXMTRGC-ZDUSSCGKSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide
CID 7167702
2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17327092
2-(2-chloro-4-cyanophenoxy)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8977218
2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7167774
ethyl 2-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethoxy]benzoate
CID 7695014
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026
2-(2-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326940
methyl 2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-5-chlorobenzoate
CID 94172138
2-(2,3-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326921
2-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7199656
2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 40585331
N-[1-(4-ethylphenyl)ethyl]-2-phenoxyacetamide
CID 17326821

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-chlorophenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-acetyl-4-chlorophenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide (CID 7167630) is 2-(2-acetyl-4-chlorophenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-acetyl-4-chlorophenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-acetyl-4-chlorophenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide is CCc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2C(C)=O)cc1.
What is the InChIKey of 2-(2-acetyl-4-chlorophenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide?
The InChIKey is ZKFSWOQIXMTRGC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-4-15-5-7-16(8-6-15)13(2)22-20(24)12-25-19-10-9-17(21)11-18(19)14(3)23/h5-11,13H,4,12H2,1-3H3,(H,22,24)/t13-/m0/s1.
What are the key properties of 2-(2-acetyl-4-chlorophenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide?
2-(2-acetyl-4-chlorophenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide has a molecular weight of 359.85 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-chlorophenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide is sourced from PubChem (CID 7167630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).