N-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide

C20H22BrNO3 — CID 17189464

IUPACN-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc(C(C)=O)cc2)c(Br)c1
InChIInChI=1S/C20H22BrNO3/c1-4-13(2)16-7-10-19(18(21)11-16)25-12-20(24)22-17-8-5-15(6-9-17)14(3)23/h5-11,13H,4,12H2,1-3H3,(H,22,24)
InChIKeyGRDKYCOOXIZKGD-UHFFFAOYSA-N
MW404.30 g/mol
LogP5.18
Rot. Bonds7

About N-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide

N-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide (PubChem CID 17189464) has the molecular formula C20H22BrNO3 and a molecular weight of 404.30 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide
PubChem CID17189464
Molecular FormulaC20H22BrNO3
Molecular Weight404.30 g/mol
Exact Mass403.08
IUPAC NameN-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc(C(C)=O)cc2)c(Br)c1
InChIInChI=1S/C20H22BrNO3/c1-4-13(2)16-7-10-19(18(21)11-16)25-12-20(24)22-17-8-5-15(6-9-17)14(3)23/h5-11,13H,4,12H2,1-3H3,(H,22,24)
InChIKeyGRDKYCOOXIZKGD-UHFFFAOYSA-N
XLogP5.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.30
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]benzoate
CID 17189488
4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide
CID 17195320
4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 17230322
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17189592
N-[4-[[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]carbamoyl]phenyl]butanamide
CID 17189704
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 17189618
4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 17229859
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 17189555
2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide
CID 17189524
2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
CID 7313472
2-(4-bromo-2-chlorophenoxy)-N-(4-butan-2-ylphenyl)acetamide
CID 4623642
N-(4-acetylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19206321

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide (CID 17189464) is N-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide is CCC(C)c1ccc(OCC(=O)Nc2ccc(C(C)=O)cc2)c(Br)c1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide?
The InChIKey is GRDKYCOOXIZKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO3/c1-4-13(2)16-7-10-19(18(21)11-16)25-12-20(24)22-17-8-5-15(6-9-17)14(3)23/h5-11,13H,4,12H2,1-3H3,(H,22,24).
What are the key properties of N-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide?
N-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide has a molecular weight of 404.30 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide is sourced from PubChem (CID 17189464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).