N-[1-(2-bromophenoxy)propan-2-yl]acetamide

C11H14BrNO2 — CID 69419717

IUPACN-[1-(2-bromophenoxy)propan-2-yl]acetamide
SMILESCC(=O)NC(C)COc1ccccc1Br
InChIInChI=1S/C11H14BrNO2/c1-8(13-9(2)14)7-15-11-6-4-3-5-10(11)12/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyGIUVNGPPUIEEHN-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.35
Rot. Bonds4

About N-[1-(2-bromophenoxy)propan-2-yl]acetamide

N-[1-(2-bromophenoxy)propan-2-yl]acetamide (PubChem CID 69419717) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-[1-(2-bromophenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-bromophenoxy)propan-2-yl]acetamide
PubChem CID69419717
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-[1-(2-bromophenoxy)propan-2-yl]acetamide
SMILESCC(=O)NC(C)COc1ccccc1Br
InChIInChI=1S/C11H14BrNO2/c1-8(13-9(2)14)7-15-11-6-4-3-5-10(11)12/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyGIUVNGPPUIEEHN-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-3-(2-bromophenoxy)propanoic acid
CID 65442968
(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011
2-(2-bromophenoxy)-N-butan-2-ylacetamide
CID 19170000
3-[[2-(2-bromophenoxy)acetyl]amino]butanoic acid
CID 120522773
1-bromo-2-(2-chloropropoxy)benzene
CID 22752746
2-[(2-bromophenoxy)methyl]-4-methylpentanoic acid
CID 117242120
2-(2-bromophenoxy)-N-butan-2-ylpropanamide
CID 43117128
N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide
CID 113099538
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 95397556
2-(2-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4781197
2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide
CID 132652224
1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol
CID 4728858

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenoxy)propan-2-yl]acetamide?
The IUPAC name of N-[1-(2-bromophenoxy)propan-2-yl]acetamide (CID 69419717) is N-[1-(2-bromophenoxy)propan-2-yl]acetamide.
What is the SMILES notation for N-[1-(2-bromophenoxy)propan-2-yl]acetamide?
The canonical SMILES for N-[1-(2-bromophenoxy)propan-2-yl]acetamide is CC(=O)NC(C)COc1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenoxy)propan-2-yl]acetamide?
The InChIKey is GIUVNGPPUIEEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-8(13-9(2)14)7-15-11-6-4-3-5-10(11)12/h3-6,8H,7H2,1-2H3,(H,13,14).
What are the key properties of N-[1-(2-bromophenoxy)propan-2-yl]acetamide?
N-[1-(2-bromophenoxy)propan-2-yl]acetamide has a molecular weight of 272.14 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 69419717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).