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

C19H20ClNO3 — CID 51318364

IUPAC2-(4-acetylphenoxy)-N-[1-(4-chlorophenyl)propyl]acetamide
SMILESCCC(NC(=O)COc1ccc(C(C)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO3/c1-3-18(15-4-8-16(20)9-5-15)21-19(23)12-24-17-10-6-14(7-11-17)13(2)22/h4-11,18H,3,12H2,1-2H3,(H,21,23)
InChIKeyVXZYBHUBJXQKLY-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.19
Rot. Bonds7

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

2-(4-acetylphenoxy)-N-[1-(4-chlorophenyl)propyl]acetamide (PubChem CID 51318364) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[1-(4-chlorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[1-(4-chlorophenyl)propyl]acetamide
PubChem CID51318364
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name2-(4-acetylphenoxy)-N-[1-(4-chlorophenyl)propyl]acetamide
SMILESCCC(NC(=O)COc1ccc(C(C)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO3/c1-3-18(15-4-8-16(20)9-5-15)21-19(23)12-24-17-10-6-14(7-11-17)13(2)22/h4-11,18H,3,12H2,1-2H3,(H,21,23)
InChIKeyVXZYBHUBJXQKLY-UHFFFAOYSA-N
XLogP4.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide
CID 30399638
2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 132651553
2-(4-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60625311
2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951
4-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethoxy]benzamide
CID 7931267
(3S)-3-(4-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoic acid
CID 7045114
2-(4-acetylphenoxy)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 51295837
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8910299
2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94843764
2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 9296856
methyl 3-[[2-(4-acetylphenoxy)acetyl]amino]-3-phenylpropanoate
CID 46637572
N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide
CID 27754182

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[1-(4-chlorophenyl)propyl]acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[1-(4-chlorophenyl)propyl]acetamide (CID 51318364) is 2-(4-acetylphenoxy)-N-[1-(4-chlorophenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[1-(4-chlorophenyl)propyl]acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[1-(4-chlorophenyl)propyl]acetamide is CCC(NC(=O)COc1ccc(C(C)=O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[1-(4-chlorophenyl)propyl]acetamide?
The InChIKey is VXZYBHUBJXQKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-3-18(15-4-8-16(20)9-5-15)21-19(23)12-24-17-10-6-14(7-11-17)13(2)22/h4-11,18H,3,12H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-acetylphenoxy)-N-[1-(4-chlorophenyl)propyl]acetamide?
2-(4-acetylphenoxy)-N-[1-(4-chlorophenyl)propyl]acetamide has a molecular weight of 345.83 g/mol, XLogP of 4.19, 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-(4-chlorophenyl)propyl]acetamide is sourced from PubChem (CID 51318364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).