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

C18H20BrNO2 — CID 3431562

IUPACN-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H20BrNO2/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)
InChIKeyWYXQAWIDSDRJJC-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.98
Rot. Bonds6

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

N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide (PubChem CID 3431562) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
PubChem CID3431562
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC NameN-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H20BrNO2/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)
InChIKeyWYXQAWIDSDRJJC-UHFFFAOYSA-N
XLogP4.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 759062
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
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-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 1287541
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671033
2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 7299572

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide (CID 3431562) is N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide is CCC(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide?
The InChIKey is WYXQAWIDSDRJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/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).
What are the key properties of N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide?
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide has a molecular weight of 362.27 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide is sourced from PubChem (CID 3431562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).