2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide

C6H12BrNO2 — CID 104551581

IUPAC2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide
SMILESCC(CO)N(C)C(=O)CBr
InChIInChI=1S/C6H12BrNO2/c1-5(4-9)8(2)6(10)3-7/h5,9H,3-4H2,1-2H3
InChIKeyNTAXWWULNXIVKJ-UHFFFAOYSA-N
MW210.07 g/mol
LogP0.22
Rot. Bonds3

About 2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide

2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide (PubChem CID 104551581) has the molecular formula C6H12BrNO2 and a molecular weight of 210.07 g/mol. Its IUPAC name is 2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide
PubChem CID104551581
Molecular FormulaC6H12BrNO2
Molecular Weight210.07 g/mol
Exact Mass209.01
IUPAC Name2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide
SMILESCC(CO)N(C)C(=O)CBr
InChIInChI=1S/C6H12BrNO2/c1-5(4-9)8(2)6(10)3-7/h5,9H,3-4H2,1-2H3
InChIKeyNTAXWWULNXIVKJ-UHFFFAOYSA-N
XLogP0.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 50.22
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-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide
CID 104551888
N-(1-hydroxypropan-2-yl)-2-(2-methoxyethoxy)-N-methylacetamide
CID 115765010
4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylpentanamide
CID 104556903
N-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide
CID 104553462
2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid
CID 104551501
N-(1-hydroxypropan-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115968619
2,2-diethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutanoic acid
CID 104551496
2-(cyclopropylamino)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551708
N-(1-hydroxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 115869500
2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115869468
N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide
CID 104553489
N-(1-hydroxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 115765115

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
The IUPAC name of 2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide (CID 104551581) is 2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
The canonical SMILES for 2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide is CC(CO)N(C)C(=O)CBr.
What is the InChIKey of 2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
The InChIKey is NTAXWWULNXIVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO2/c1-5(4-9)8(2)6(10)3-7/h5,9H,3-4H2,1-2H3.
What are the key properties of 2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide has a molecular weight of 210.07 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide is sourced from PubChem (CID 104551581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).