2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide

C19H20ClNO3 — CID 7167691

IUPAC2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
SMILESCC(=O)c1cc(Cl)ccc1OCC(=O)NC[C@@H](C)c1ccccc1
InChIInChI=1S/C19H20ClNO3/c1-13(15-6-4-3-5-7-15)11-21-19(23)12-24-18-9-8-16(20)10-17(18)14(2)22/h3-10,13H,11-12H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyFBSWFUUVZUZZIR-CYBMUJFWSA-N
MW345.83 g/mol
LogP3.84
Rot. Bonds7

About 2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide

2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide (PubChem CID 7167691) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
PubChem CID7167691
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
SMILESCC(=O)c1cc(Cl)ccc1OCC(=O)NC[C@@H](C)c1ccccc1
InChIInChI=1S/C19H20ClNO3/c1-13(15-6-4-3-5-7-15)11-21-19(23)12-24-18-9-8-16(20)10-17(18)14(2)22/h3-10,13H,11-12H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyFBSWFUUVZUZZIR-CYBMUJFWSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021089
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate
CID 7723030
2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7167774
5-chloro-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid
CID 43216932
2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7809627
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide
CID 133164501
2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 8579822
2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide
CID 7167702
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7209242
2-(2-bromo-4-ethylphenoxy)-N-(2-phenylpropyl)acetamide
CID 133164493
propan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate
CID 55021490
2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7762724

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide (CID 7167691) is 2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide is CC(=O)c1cc(Cl)ccc1OCC(=O)NC[C@@H](C)c1ccccc1.
What is the InChIKey of 2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
The InChIKey is FBSWFUUVZUZZIR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-13(15-6-4-3-5-7-15)11-21-19(23)12-24-18-9-8-16(20)10-17(18)14(2)22/h3-10,13H,11-12H2,1-2H3,(H,21,23)/t13-/m1/s1.
What are the key properties of 2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide has a molecular weight of 345.83 g/mol, XLogP of 3.84, 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-[(2S)-2-phenylpropyl]acetamide is sourced from PubChem (CID 7167691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).