N-(1-bromopropan-2-yl)-2-(2-hydroxyphenyl)-N-methylacetamide

C12H16BrNO2 — CID 104556210

IUPACN-(1-bromopropan-2-yl)-2-(2-hydroxyphenyl)-N-methylacetamide
SMILESCC(CBr)N(C)C(=O)Cc1ccccc1O
InChIInChI=1S/C12H16BrNO2/c1-9(8-13)14(2)12(16)7-10-5-3-4-6-11(10)15/h3-6,9,15H,7-8H2,1-2H3
InChIKeyMWOMEFUHIALOKP-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.18
Rot. Bonds4

About N-(1-bromopropan-2-yl)-2-(2-hydroxyphenyl)-N-methylacetamide

N-(1-bromopropan-2-yl)-2-(2-hydroxyphenyl)-N-methylacetamide (PubChem CID 104556210) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-2-(2-hydroxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-2-(2-hydroxyphenyl)-N-methylacetamide
PubChem CID104556210
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-(1-bromopropan-2-yl)-2-(2-hydroxyphenyl)-N-methylacetamide
SMILESCC(CBr)N(C)C(=O)Cc1ccccc1O
InChIInChI=1S/C12H16BrNO2/c1-9(8-13)14(2)12(16)7-10-5-3-4-6-11(10)15/h3-6,9,15H,7-8H2,1-2H3
InChIKeyMWOMEFUHIALOKP-UHFFFAOYSA-N
XLogP2.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-bromopropan-2-yl)-N-methyl-3-(2-methylphenyl)propanamide
CID 104555951
2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 96570370
2-(2-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 80740739
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 95567536
N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 115693680
N-(3-chloropropyl)-2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 80740905
ethane;ethyl 2-(2-hydroxyphenyl)acetate
CID 153350759
N-(1-aminopropan-2-yl)-N-methyl-2-(2-propan-2-yloxyphenyl)acetamide
CID 119582125
N-(1-cyanopropan-2-yl)-N-methyl-2-(2-methylphenyl)acetamide
CID 63224539
N,N-dibutyl-2-(2-hydroxyphenyl)acetamide
CID 78916820
N-methyl-N-propan-2-yl-2-(2-propan-2-ylphenyl)acetamide
CID 59961759
2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid
CID 80743167

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-2-(2-hydroxyphenyl)-N-methylacetamide?
The IUPAC name of N-(1-bromopropan-2-yl)-2-(2-hydroxyphenyl)-N-methylacetamide (CID 104556210) is N-(1-bromopropan-2-yl)-2-(2-hydroxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-2-(2-hydroxyphenyl)-N-methylacetamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-2-(2-hydroxyphenyl)-N-methylacetamide is CC(CBr)N(C)C(=O)Cc1ccccc1O.
What is the InChIKey of N-(1-bromopropan-2-yl)-2-(2-hydroxyphenyl)-N-methylacetamide?
The InChIKey is MWOMEFUHIALOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9(8-13)14(2)12(16)7-10-5-3-4-6-11(10)15/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-2-(2-hydroxyphenyl)-N-methylacetamide?
N-(1-bromopropan-2-yl)-2-(2-hydroxyphenyl)-N-methylacetamide has a molecular weight of 286.17 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-2-(2-hydroxyphenyl)-N-methylacetamide is sourced from PubChem (CID 104556210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).