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

C17H18BrNO2 — CID 924943

IUPACN-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C17H18BrNO2/c1-12(2)13-7-9-14(10-8-13)21-11-17(20)19-16-6-4-3-5-15(16)18/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyCRZVJPJGYARLPB-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.59
Rot. Bonds5

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

N-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 924943) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID924943
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C17H18BrNO2/c1-12(2)13-7-9-14(10-8-13)21-11-17(20)19-16-6-4-3-5-15(16)18/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyCRZVJPJGYARLPB-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-methylphenyl)-2-phenoxyacetamide
CID 689977
N-[2-(3-bromophenoxy)-5-(trifluoromethyl)phenyl]-2-ethoxyacetamide
CID 1631654
N-(3-ethenylphenyl)-2-phenoxyacetamide
CID 2231690
N-(4-Isopropyl-phenyl)-2-phenoxy-acetamide
CID 690069
2-(3,4-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 723386
2-(2-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 759341
2-(2-methylphenoxy)-N-(2-phenylphenyl)acetamide
CID 879266
N-(4-acetamidophenyl)-2-(4-phenylphenoxy)acetamide
CID 1015551
N-(3-methylphenyl)-2-phenoxyacetamide
CID 689978
N-(4-Bromophenyl)-2-(naphthalen-1-yloxy)acetamide
CID 1087303
N-[4-(dimethylamino)phenyl]-2-(4-methylphenoxy)acetamide
CID 645504
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)acetamide (CID 924943) is N-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of N-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is CRZVJPJGYARLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-12(2)13-7-9-14(10-8-13)21-11-17(20)19-16-6-4-3-5-15(16)18/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)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 N-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 924943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).