N-(2-bromo-4-methylphenyl)-2-methylpropanamide

C11H14BrNO — CID 692187

IUPACN-(2-bromo-4-methylphenyl)-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)c(Br)c1
InChIInChI=1S/C11H14BrNO/c1-7(2)11(14)13-10-5-4-8(3)6-9(10)12/h4-7H,1-3H3,(H,13,14)
InChIKeyDSZAOXJAEXKABT-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.35
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-2-methylpropanamide

N-(2-bromo-4-methylphenyl)-2-methylpropanamide (PubChem CID 692187) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-methylpropanamide
PubChem CID692187
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-(2-bromo-4-methylphenyl)-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)c(Br)c1
InChIInChI=1S/C11H14BrNO/c1-7(2)11(14)13-10-5-4-8(3)6-9(10)12/h4-7H,1-3H3,(H,13,14)
InChIKeyDSZAOXJAEXKABT-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-methylpropanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-methylpropanamide (CID 692187) is N-(2-bromo-4-methylphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-methylpropanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-methylpropanamide is Cc1ccc(NC(=O)C(C)C)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-methylpropanamide?
The InChIKey is DSZAOXJAEXKABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-7(2)11(14)13-10-5-4-8(3)6-9(10)12/h4-7H,1-3H3,(H,13,14).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-methylpropanamide?
N-(2-bromo-4-methylphenyl)-2-methylpropanamide has a molecular weight of 256.14 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-methylpropanamide is sourced from PubChem (CID 692187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).