2-bromo-N-(3-hydroxy-4-methylphenyl)butanamide

C11H14BrNO2 — CID 21343940

IUPAC2-bromo-N-(3-hydroxy-4-methylphenyl)butanamide
SMILESCCC(Br)C(=O)Nc1ccc(C)c(O)c1
InChIInChI=1S/C11H14BrNO2/c1-3-9(12)11(15)13-8-5-4-7(2)10(14)6-8/h4-6,9,14H,3H2,1-2H3,(H,13,15)
InChIKeyKEKHVZXUONXFPU-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.81
Rot. Bonds3

About 2-bromo-N-(3-hydroxy-4-methylphenyl)butanamide

2-bromo-N-(3-hydroxy-4-methylphenyl)butanamide (PubChem CID 21343940) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-bromo-N-(3-hydroxy-4-methylphenyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(3-hydroxy-4-methylphenyl)butanamide
PubChem CID21343940
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-bromo-N-(3-hydroxy-4-methylphenyl)butanamide
SMILESCCC(Br)C(=O)Nc1ccc(C)c(O)c1
InChIInChI=1S/C11H14BrNO2/c1-3-9(12)11(15)13-8-5-4-7(2)10(14)6-8/h4-6,9,14H,3H2,1-2H3,(H,13,15)
InChIKeyKEKHVZXUONXFPU-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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

N-(3-acetamido-4-methylphenyl)-2-bromobutanamide
CID 55125591
2-bromo-N-(4-fluoro-3-methylphenyl)butanamide
CID 62856020
2-bromo-N-(4-bromophenyl)butanamide
CID 25219718
2-bromo-N-(6-bromonaphthalen-2-yl)butanamide
CID 81260484
(2S)-2-bromo-N-(4-ethylphenyl)butanamide
CID 51659893
(2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide
CID 92864164
2-bromo-N-(3,4-diethoxyphenyl)butanamide
CID 62854269
(2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide
CID 107701657
N-(1,3-benzothiazol-6-yl)-2-bromobutanamide
CID 107804110
N-[4-(2-bromobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 62855176
(2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide
CID 94883529
2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide
CID 62855661

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-hydroxy-4-methylphenyl)butanamide?
The IUPAC name of 2-bromo-N-(3-hydroxy-4-methylphenyl)butanamide (CID 21343940) is 2-bromo-N-(3-hydroxy-4-methylphenyl)butanamide.
What is the SMILES notation for 2-bromo-N-(3-hydroxy-4-methylphenyl)butanamide?
The canonical SMILES for 2-bromo-N-(3-hydroxy-4-methylphenyl)butanamide is CCC(Br)C(=O)Nc1ccc(C)c(O)c1.
What is the InChIKey of 2-bromo-N-(3-hydroxy-4-methylphenyl)butanamide?
The InChIKey is KEKHVZXUONXFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-3-9(12)11(15)13-8-5-4-7(2)10(14)6-8/h4-6,9,14H,3H2,1-2H3,(H,13,15).
What are the key properties of 2-bromo-N-(3-hydroxy-4-methylphenyl)butanamide?
2-bromo-N-(3-hydroxy-4-methylphenyl)butanamide has a molecular weight of 272.14 g/mol, XLogP of 2.81, 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-hydroxy-4-methylphenyl)butanamide is sourced from PubChem (CID 21343940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).