2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide

C11H14BrNO2 — CID 82110089

IUPAC2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide
SMILESCC(C)(Br)C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C11H14BrNO2/c1-11(2,12)10(15)13-9-5-3-4-8(6-9)7-14/h3-6,14H,7H2,1-2H3,(H,13,15)
InChIKeyFCHGBSBNEUSJEX-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.29
Rot. Bonds3

About 2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide

2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide (PubChem CID 82110089) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide
PubChem CID82110089
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide
SMILESCC(C)(Br)C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C11H14BrNO2/c1-11(2,12)10(15)13-9-5-3-4-8(6-9)7-14/h3-6,14H,7H2,1-2H3,(H,13,15)
InChIKeyFCHGBSBNEUSJEX-UHFFFAOYSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 80555200
2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide
CID 115431812
N-[3-(hydroxymethyl)phenyl]propanamide
CID 12959862
3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 54927415
[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]phosphonic acid
CID 54125815
N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide
CID 62197477
N'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide
CID 60659461
(E)-N-[3-(hydroxymethyl)phenyl]but-2-enamide
CID 60630094
2-[3-(2,2-dimethylpropanoylamino)phenyl]acetic acid
CID 28759434
[3-(2,2-dimethylpropylamino)phenyl]methanol
CID 20785829
2-amino-N-(3-ethylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79796687
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 60676894

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide (CID 82110089) is 2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide is CC(C)(Br)C(=O)Nc1cccc(CO)c1.
What is the InChIKey of 2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide?
The InChIKey is FCHGBSBNEUSJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-11(2,12)10(15)13-9-5-3-4-8(6-9)7-14/h3-6,14H,7H2,1-2H3,(H,13,15).
What are the key properties of 2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide?
2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide has a molecular weight of 272.14 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 82110089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).