N-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide

C19H22BrNO2 — CID 17093191

IUPACN-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
SMILESCCC(C)(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrNO2/c1-4-19(2,3)14-5-11-17(12-6-14)23-13-18(22)21-16-9-7-15(20)8-10-16/h5-12H,4,13H2,1-3H3,(H,21,22)
InChIKeyMJJJLTYKQFENNG-UHFFFAOYSA-N
MW376.29 g/mol
LogP5.15
Rot. Bonds6

About N-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide

N-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide (PubChem CID 17093191) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
PubChem CID17093191
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC NameN-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
SMILESCCC(C)(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrNO2/c1-4-19(2,3)14-5-11-17(12-6-14)23-13-18(22)21-16-9-7-15(20)8-10-16/h5-12H,4,13H2,1-3H3,(H,21,22)
InChIKeyMJJJLTYKQFENNG-UHFFFAOYSA-N
XLogP5.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.29
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093193
N-(4-anilinophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093194
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 17093306
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1361282
N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093244
N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide
CID 55027089
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 17093270
4-tert-butyl-N-[4-[[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]carbamoyl]phenyl]benzamide
CID 17093395
N-(3-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17098223
N-(3-acetylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093218
4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218749

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide (CID 17093191) is N-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide is CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The InChIKey is MJJJLTYKQFENNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-4-19(2,3)14-5-11-17(12-6-14)23-13-18(22)21-16-9-7-15(20)8-10-16/h5-12H,4,13H2,1-3H3,(H,21,22).
What are the key properties of N-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
N-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide has a molecular weight of 376.29 g/mol, XLogP of 5.15, 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-(2-methylbutan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 17093191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).