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

C11H14BrNO — CID 801490

IUPACN-(4-bromo-3-methylphenyl)butanamide
SMILESCCCC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C11H14BrNO/c1-3-4-11(14)13-9-5-6-10(12)8(2)7-9/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyXFMMZKUDKVAEPA-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.50
Rot. Bonds3

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

N-(4-bromo-3-methylphenyl)butanamide (PubChem CID 801490) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)butanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)butanamide
PubChem CID801490
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-(4-bromo-3-methylphenyl)butanamide
SMILESCCCC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C11H14BrNO/c1-3-4-11(14)13-9-5-6-10(12)8(2)7-9/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyXFMMZKUDKVAEPA-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)butanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)butanamide (CID 801490) is N-(4-bromo-3-methylphenyl)butanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)butanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)butanamide is CCCC(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)butanamide?
The InChIKey is XFMMZKUDKVAEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-3-4-11(14)13-9-5-6-10(12)8(2)7-9/h5-7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of N-(4-bromo-3-methylphenyl)butanamide?
N-(4-bromo-3-methylphenyl)butanamide has a molecular weight of 256.14 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)butanamide is sourced from PubChem (CID 801490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).