2-(2-bromophenoxy)-N-butan-2-ylacetamide

C12H16BrNO2 — CID 19170000

IUPAC2-(2-bromophenoxy)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1ccccc1Br
InChIInChI=1S/C12H16BrNO2/c1-3-9(2)14-12(15)8-16-11-7-5-4-6-10(11)13/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeyILTCXFUWYRMEON-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.74
Rot. Bonds5

About 2-(2-bromophenoxy)-N-butan-2-ylacetamide

2-(2-bromophenoxy)-N-butan-2-ylacetamide (PubChem CID 19170000) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-butan-2-ylacetamide
PubChem CID19170000
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-(2-bromophenoxy)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1ccccc1Br
InChIInChI=1S/C12H16BrNO2/c1-3-9(2)14-12(15)8-16-11-7-5-4-6-10(11)13/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeyILTCXFUWYRMEON-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(2-bromophenoxy)acetyl]amino]butanoic acid
CID 120522773
2-(2-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4781197
2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide
CID 47473943
2-(2-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326940
N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 728123
2-(2-bromophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42980776
2-(2-bromophenoxy)-N-methylacetamide
CID 8024487
2-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7847611
2-(2-bromophenoxy)-N-butan-2-ylpropanamide
CID 43117128
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
2-(2-bromophenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7466805
N-[(2S)-butan-2-yl]-2-(2-methylquinolin-8-yl)oxyacetamide
CID 7701891

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-butan-2-ylacetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-butan-2-ylacetamide (CID 19170000) is 2-(2-bromophenoxy)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-butan-2-ylacetamide is CCC(C)NC(=O)COc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-N-butan-2-ylacetamide?
The InChIKey is ILTCXFUWYRMEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-3-9(2)14-12(15)8-16-11-7-5-4-6-10(11)13/h4-7,9H,3,8H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-bromophenoxy)-N-butan-2-ylacetamide?
2-(2-bromophenoxy)-N-butan-2-ylacetamide has a molecular weight of 286.17 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-butan-2-ylacetamide is sourced from PubChem (CID 19170000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).