N-(4-bromo-2-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide

C23H21BrFNO2 — CID 53267565

IUPACN-(4-bromo-2-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
SMILESCC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C23H21BrFNO2/c1-23(2,16-6-4-3-5-7-16)17-8-11-19(12-9-17)28-15-22(27)26-21-13-10-18(24)14-20(21)25/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeyCZTJZJPXZCXOLB-UHFFFAOYSA-N
MW442.33 g/mol
LogP5.93
Rot. Bonds6

About N-(4-bromo-2-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide

N-(4-bromo-2-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide (PubChem CID 53267565) has the molecular formula C23H21BrFNO2 and a molecular weight of 442.33 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
PubChem CID53267565
Molecular FormulaC23H21BrFNO2
Molecular Weight442.33 g/mol
Exact Mass441.07
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
SMILESCC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C23H21BrFNO2/c1-23(2,16-6-4-3-5-7-16)17-8-11-19(12-9-17)28-15-22(27)26-21-13-10-18(24)14-20(21)25/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeyCZTJZJPXZCXOLB-UHFFFAOYSA-N
XLogP5.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.33
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide
CID 2711563
N-(4-bromo-2-fluorophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 2947306
2-(4-tert-butylphenoxy)-N-(2-fluoro-4-iodophenyl)acetamide
CID 2979931
N-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 3872466
N-(4-bromo-2-fluorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 4270758
N-(2-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093259
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2466756
N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467631
N-(2-ethoxyphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 1183545
N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 126212362
N-(5-bromo-2-methylphenyl)-2-phenoxyacetamide
CID 43806384
N-[(2-fluorophenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19176108

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide (CID 53267565) is N-(4-bromo-2-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide is CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?
The InChIKey is CZTJZJPXZCXOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrFNO2/c1-23(2,16-6-4-3-5-7-16)17-8-11-19(12-9-17)28-15-22(27)26-21-13-10-18(24)14-20(21)25/h3-14H,15H2,1-2H3,(H,26,27).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide has a molecular weight of 442.33 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 53267565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).