2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide

C17H17ClFNO2 — CID 8579822

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
SMILESC[C@H](CNC(=O)COc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H17ClFNO2/c1-12(13-5-3-2-4-6-13)10-20-17(21)11-22-14-7-8-16(19)15(18)9-14/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyCWFMGENWESJLMK-GFCCVEGCSA-N
MW321.78 g/mol
LogP3.78
Rot. Bonds6

About 2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide

2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide (PubChem CID 8579822) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
PubChem CID8579822
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
SMILESC[C@H](CNC(=O)COc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H17ClFNO2/c1-12(13-5-3-2-4-6-13)10-20-17(21)11-22-14-7-8-16(19)15(18)9-14/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyCWFMGENWESJLMK-GFCCVEGCSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7794665
2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7751282
2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide
CID 120831240
2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120653969
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide
CID 133164501
2-(3-chloro-4-fluorophenoxy)-N-(1-hydroxy-3-phenylbutan-2-yl)acetamide
CID 146087967
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-2-phenylacetamide
CID 56811334
2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
CID 7652508
methyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate
CID 7667328
2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7167691
2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide
CID 16540648
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate
CID 7723030

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide (CID 8579822) is 2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide is C[C@H](CNC(=O)COc1ccc(F)c(Cl)c1)c1ccccc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
The InChIKey is CWFMGENWESJLMK-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-12(13-5-3-2-4-6-13)10-20-17(21)11-22-14-7-8-16(19)15(18)9-14/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide has a molecular weight of 321.78 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide is sourced from PubChem (CID 8579822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).