N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide

C17H18BrNO3 — CID 42989399

IUPACN-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(OCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C17H18BrNO3/c1-2-11-21-13-7-9-14(10-8-13)22-12-17(20)19-16-6-4-3-5-15(16)18/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyRLXIKLVRHTZWFJ-UHFFFAOYSA-N
MW364.24 g/mol
LogP4.26
Rot. Bonds7

About N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide

N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide (PubChem CID 42989399) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide
PubChem CID42989399
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC NameN-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(OCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C17H18BrNO3/c1-2-11-21-13-7-9-14(10-8-13)22-12-17(20)19-16-6-4-3-5-15(16)18/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyRLXIKLVRHTZWFJ-UHFFFAOYSA-N
XLogP4.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-(4-propylphenoxy)acetamide
CID 19180395
N-(2-bromophenyl)-2-(4-phenylphenoxy)acetamide
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CID 40666712
N-(2-bromophenyl)-2-(4-formylphenoxy)acetamide
CID 23410083
N-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide
CID 107171288
N-(2-hydroxyphenyl)-2-(3-propoxyphenoxy)acetamide
CID 4733100
N-(2-bromophenyl)-2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79781844
N-[2-(bromomethyl)phenyl]-2-(4-hexadecoxyphenoxy)acetamide
CID 10007971
N-(2-bromophenyl)-2-(1-propylpyrazol-4-yl)oxyacetamide
CID 116805188
3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide
CID 61090388
N-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19180400
N-(2-bromophenyl)butanamide
CID 732405

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide (CID 42989399) is N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide is CCCOc1ccc(OCC(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide?
The InChIKey is RLXIKLVRHTZWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-2-11-21-13-7-9-14(10-8-13)22-12-17(20)19-16-6-4-3-5-15(16)18/h3-10H,2,11-12H2,1H3,(H,19,20).
What are the key properties of N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide?
N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide has a molecular weight of 364.24 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide is sourced from PubChem (CID 42989399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).