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

C11H13BrFNO — CID 62856020

IUPAC2-bromo-N-(4-fluoro-3-methylphenyl)butanamide
SMILESCCC(Br)C(=O)Nc1ccc(F)c(C)c1
InChIInChI=1S/C11H13BrFNO/c1-3-9(12)11(15)14-8-4-5-10(13)7(2)6-8/h4-6,9H,3H2,1-2H3,(H,14,15)
InChIKeyHJJBAVCVJBXGRQ-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.25
Rot. Bonds3

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

2-bromo-N-(4-fluoro-3-methylphenyl)butanamide (PubChem CID 62856020) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 2-bromo-N-(4-fluoro-3-methylphenyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(4-fluoro-3-methylphenyl)butanamide
PubChem CID62856020
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name2-bromo-N-(4-fluoro-3-methylphenyl)butanamide
SMILESCCC(Br)C(=O)Nc1ccc(F)c(C)c1
InChIInChI=1S/C11H13BrFNO/c1-3-9(12)11(15)14-8-4-5-10(13)7(2)6-8/h4-6,9H,3H2,1-2H3,(H,14,15)
InChIKeyHJJBAVCVJBXGRQ-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide
CID 92864164
2-bromo-N-(3-cyano-4-fluorophenyl)butanamide
CID 62855843
2-bromo-N-(3-hydroxy-4-methylphenyl)butanamide
CID 21343940
N-(4-fluoro-3-methylphenyl)-2-hydroxypropanamide
CID 115140347
N-(3-acetamido-4-methylphenyl)-2-bromobutanamide
CID 55125591
(2S)-2-amino-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813030
3-amino-N-(4-fluoro-3-methylphenyl)-2-hydroxypropanamide
CID 115180231
2-bromo-N-(4-bromophenyl)butanamide
CID 25219718
(2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide
CID 78917568
2-bromo-N-(6-bromonaphthalen-2-yl)butanamide
CID 81260484
N-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 115165884
N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
CID 63235993

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-fluoro-3-methylphenyl)butanamide?
The IUPAC name of 2-bromo-N-(4-fluoro-3-methylphenyl)butanamide (CID 62856020) is 2-bromo-N-(4-fluoro-3-methylphenyl)butanamide.
What is the SMILES notation for 2-bromo-N-(4-fluoro-3-methylphenyl)butanamide?
The canonical SMILES for 2-bromo-N-(4-fluoro-3-methylphenyl)butanamide is CCC(Br)C(=O)Nc1ccc(F)c(C)c1.
What is the InChIKey of 2-bromo-N-(4-fluoro-3-methylphenyl)butanamide?
The InChIKey is HJJBAVCVJBXGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-3-9(12)11(15)14-8-4-5-10(13)7(2)6-8/h4-6,9H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-(4-fluoro-3-methylphenyl)butanamide?
2-bromo-N-(4-fluoro-3-methylphenyl)butanamide has a molecular weight of 274.13 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-fluoro-3-methylphenyl)butanamide is sourced from PubChem (CID 62856020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).