3-(2-bromophenyl)-3-hydroxy-N-methoxy-N-methylpropanamide

C11H14BrNO3 — CID 164892784

IUPAC3-(2-bromophenyl)-3-hydroxy-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)CC(O)c1ccccc1Br
InChIInChI=1S/C11H14BrNO3/c1-13(16-2)11(15)7-10(14)8-5-3-4-6-9(8)12/h3-6,10,14H,7H2,1-2H3
InChIKeyNEIFZOBSPMIQKO-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.89
Rot. Bonds4

About 3-(2-bromophenyl)-3-hydroxy-N-methoxy-N-methylpropanamide

3-(2-bromophenyl)-3-hydroxy-N-methoxy-N-methylpropanamide (PubChem CID 164892784) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 3-(2-bromophenyl)-3-hydroxy-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-3-hydroxy-N-methoxy-N-methylpropanamide
PubChem CID164892784
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name3-(2-bromophenyl)-3-hydroxy-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)CC(O)c1ccccc1Br
InChIInChI=1S/C11H14BrNO3/c1-13(16-2)11(15)7-10(14)8-5-3-4-6-9(8)12/h3-6,10,14H,7H2,1-2H3
InChIKeyNEIFZOBSPMIQKO-UHFFFAOYSA-N
XLogP1.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

propyl (3R)-3-(2-bromophenyl)-3-hydroxypropanoate
CID 11694906
N-methoxy-N-methyl-3-phenylbutanamide
CID 22612044
(4R)-4-(2-bromophenyl)-1-diethoxyphosphoryl-4-hydroxybutan-2-one
CID 101232564
2-bromo-N-methoxy-N-methylbenzamide
CID 46318655
3-hydroxy-N-methoxy-N-methylbutanamide
CID 73159357
3-(2-bromophenyl)-3-methoxypropanoic acid
CID 83844316
ethyl 4-(2-bromophenyl)-3,4-dihydroxybutanoate
CID 171898431
3-[2-chloro-5-(trifluoromethyl)phenyl]-3-hydroxy-N-methoxy-N-methylpropanamide
CID 164893310
methyl N-[N'-[2-(2-bromophenyl)-2-hydroxyethyl]-N-methoxycarbonylcarbamimidoyl]carbamate
CID 70608448
methyl 4-(2-bromophenyl)-4-(dimethylamino)butanoate
CID 116910322
ethyl 3-(2-bromophenyl)butanoate
CID 21217383
(2R)-2-(2-bromophenyl)-2-methoxyacetic acid
CID 124585261

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-3-hydroxy-N-methoxy-N-methylpropanamide?
The IUPAC name of 3-(2-bromophenyl)-3-hydroxy-N-methoxy-N-methylpropanamide (CID 164892784) is 3-(2-bromophenyl)-3-hydroxy-N-methoxy-N-methylpropanamide.
What is the SMILES notation for 3-(2-bromophenyl)-3-hydroxy-N-methoxy-N-methylpropanamide?
The canonical SMILES for 3-(2-bromophenyl)-3-hydroxy-N-methoxy-N-methylpropanamide is CON(C)C(=O)CC(O)c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-3-hydroxy-N-methoxy-N-methylpropanamide?
The InChIKey is NEIFZOBSPMIQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-13(16-2)11(15)7-10(14)8-5-3-4-6-9(8)12/h3-6,10,14H,7H2,1-2H3.
What are the key properties of 3-(2-bromophenyl)-3-hydroxy-N-methoxy-N-methylpropanamide?
3-(2-bromophenyl)-3-hydroxy-N-methoxy-N-methylpropanamide has a molecular weight of 288.14 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-3-hydroxy-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 164892784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).