2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide

C18H20FNO2 — CID 918574

IUPAC2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
SMILESCC[C@H](C)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO2/c1-3-13(2)14-4-10-17(11-5-14)22-12-18(21)20-16-8-6-15(19)7-9-16/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyORUSXXDVPDOHAR-ZDUSSCGKSA-N
MW301.36 g/mol
LogP4.36
Rot. Bonds6

About 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide

2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 918574) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
PubChem CID918574
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
SMILESCC[C@H](C)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO2/c1-3-13(2)14-4-10-17(11-5-14)22-12-18(21)20-16-8-6-15(19)7-9-16/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyORUSXXDVPDOHAR-ZDUSSCGKSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562
methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate
CID 4959303
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[4-(dimethylamino)phenyl]acetamide
CID 918515
2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide
CID 4959333
N-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 78904121
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671033
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide
CID 7643302
2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 22776102

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide (CID 918574) is 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide is CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide?
The InChIKey is ORUSXXDVPDOHAR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-3-13(2)14-4-10-17(11-5-14)22-12-18(21)20-16-8-6-15(19)7-9-16/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide?
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 301.36 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 918574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).