2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide

C18H20FNO2 — CID 2950014

IUPAC2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide
SMILESCCC(C)c1ccccc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-3-13(2)16-6-4-5-7-17(16)22-12-18(21)20-15-10-8-14(19)9-11-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)
InChIKeyQYRHHBNLGKZYGT-UHFFFAOYSA-N
MW301.36 g/mol
LogP4.36
Rot. Bonds6

About 2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide

2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide (PubChem CID 2950014) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide
PubChem CID2950014
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide
SMILESCCC(C)c1ccccc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-3-13(2)16-6-4-5-7-17(16)22-12-18(21)20-15-10-8-14(19)9-11-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)
InChIKeyQYRHHBNLGKZYGT-UHFFFAOYSA-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-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833563
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833562
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 922510
2-(2-butan-2-ylphenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340192
2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 4939634
2-(2-butan-2-ylphenoxy)-N-(4-prop-2-enoxyphenyl)acetamide
CID 4952443
4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17218695
2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154653
N-(3-amino-4-chlorophenyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 46735825
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1015338
2-(2-butan-2-ylphenoxy)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 2953225
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide (CID 2950014) is 2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide is CCC(C)c1ccccc1OCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide?
The InChIKey is QYRHHBNLGKZYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-3-13(2)16-6-4-5-7-17(16)22-12-18(21)20-15-10-8-14(19)9-11-15/h4-11,13H,3,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide?
2-(2-butan-2-ylphenoxy)-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-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2950014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).