2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide

C12H16BrNO2 — CID 888398

IUPAC2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-3-9(2)14-12(15)8-16-11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyIAHXBNIERZQASE-VIFPVBQESA-N
MW286.17 g/mol
LogP2.74
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide

2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide (PubChem CID 888398) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
PubChem CID888398
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-3-9(2)14-12(15)8-16-11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyIAHXBNIERZQASE-VIFPVBQESA-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

2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
CID 112789363
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide
CID 7611072
2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide
CID 2949556
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552551
N-butan-2-yl-2-(4-nitrophenoxy)acetamide
CID 4810367
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
CID 9218863
2-(3-bromo-5-fluorophenoxy)-N-butan-2-ylacetamide
CID 80964753
N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 95168672
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-butan-2-ylacetamide
CID 43083056
N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide
CID 78530824

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide (CID 888398) is 2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide is CC[C@H](C)NC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide?
The InChIKey is IAHXBNIERZQASE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-3-9(2)14-12(15)8-16-11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of 2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide?
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide 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-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide is sourced from PubChem (CID 888398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).