2-bromo-N-(2-hydroxyphenyl)-3-methylbutanamide

C11H14BrNO2 — CID 14234666

IUPAC2-bromo-N-(2-hydroxyphenyl)-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)Nc1ccccc1O
InChIInChI=1S/C11H14BrNO2/c1-7(2)10(12)11(15)13-8-5-3-4-6-9(8)14/h3-7,10,14H,1-2H3,(H,13,15)
InChIKeyNYMDHBGVMNVAFI-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.75
Rot. Bonds3

About 2-bromo-N-(2-hydroxyphenyl)-3-methylbutanamide

2-bromo-N-(2-hydroxyphenyl)-3-methylbutanamide (PubChem CID 14234666) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxyphenyl)-3-methylbutanamide
PubChem CID14234666
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-bromo-N-(2-hydroxyphenyl)-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)Nc1ccccc1O
InChIInChI=1S/C11H14BrNO2/c1-7(2)10(12)11(15)13-8-5-3-4-6-9(8)14/h3-7,10,14H,1-2H3,(H,13,15)
InChIKeyNYMDHBGVMNVAFI-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-methyl-N-naphthalen-1-ylbutanamide
CID 4074049
2-bromo-N-(2-hydroxy-3-methylphenyl)-3-methylbutanamide
CID 14234670
2-hydroxy-N-(2-hydroxyphenyl)propanamide
CID 83768320
2-bromo-N-(2-hydroxyphenyl)-4-methylpentanamide
CID 119094650
2-bromo-N-[2-(diethylaminomethyl)phenyl]-3-methylbutanamide
CID 43701125
2-bromo-N-(2-hydroxy-5-nitrophenyl)-3-methylbutanamide
CID 52988833
3-[(2-bromo-3-methylbutanoyl)amino]-2-methylbenzoic acid
CID 43695905
2-bromo-3-methyl-N-(4-phenylphenyl)butanamide
CID 43244711
2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61250864
N-(2,1,3-benzothiadiazol-4-yl)-2-bromo-3-methylbutanamide
CID 43470774
2-bromo-N-(2,5-dimethylphenyl)-3-methylbutanamide
CID 24710246
(2S)-2-bromo-N-(1H-indazol-7-yl)-3-methylbutanamide
CID 93266562

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydroxyphenyl)-3-methylbutanamide?
The IUPAC name of 2-bromo-N-(2-hydroxyphenyl)-3-methylbutanamide (CID 14234666) is 2-bromo-N-(2-hydroxyphenyl)-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxyphenyl)-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-(2-hydroxyphenyl)-3-methylbutanamide is CC(C)C(Br)C(=O)Nc1ccccc1O.
What is the InChIKey of 2-bromo-N-(2-hydroxyphenyl)-3-methylbutanamide?
The InChIKey is NYMDHBGVMNVAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7(2)10(12)11(15)13-8-5-3-4-6-9(8)14/h3-7,10,14H,1-2H3,(H,13,15).
What are the key properties of 2-bromo-N-(2-hydroxyphenyl)-3-methylbutanamide?
2-bromo-N-(2-hydroxyphenyl)-3-methylbutanamide has a molecular weight of 272.14 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 14234666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).