2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide

C17H18BrNO2 — CID 759062

IUPAC2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO2/c1-12(2)13-3-7-15(8-4-13)19-17(20)11-21-16-9-5-14(18)6-10-16/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyUKSPFKLGFRISDJ-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.59
Rot. Bonds5

About 2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide

2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 759062) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID759062
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO2/c1-12(2)13-3-7-15(8-4-13)19-17(20)11-21-16-9-5-14(18)6-10-16/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyUKSPFKLGFRISDJ-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide
CID 17202439
N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4949733
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26157459
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1361282
2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 2788023
N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide
CID 55027089
N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 53267518
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682450
2-(3,5-dimethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7707185

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide (CID 759062) is 2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is UKSPFKLGFRISDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-12(2)13-3-7-15(8-4-13)19-17(20)11-21-16-9-5-14(18)6-10-16/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide?
2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 348.24 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 759062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).