N-(4-bromophenyl)-2-methylpropanamide

C10H12BrNO — CID 532135

IUPACN-(4-bromophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO/c1-7(2)10(13)12-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)
InChIKeyAVQYIQZFJLEKGK-UHFFFAOYSA-N
MW242.12 g/mol
LogP3.04
Rot. Bonds2

About N-(4-bromophenyl)-2-methylpropanamide

N-(4-bromophenyl)-2-methylpropanamide (PubChem CID 532135) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-methylpropanamide
PubChem CID532135
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC NameN-(4-bromophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO/c1-7(2)10(13)12-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)
InChIKeyAVQYIQZFJLEKGK-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-methylpropanamide?
The IUPAC name of N-(4-bromophenyl)-2-methylpropanamide (CID 532135) is N-(4-bromophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(4-bromophenyl)-2-methylpropanamide?
The canonical SMILES for N-(4-bromophenyl)-2-methylpropanamide is CC(C)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-methylpropanamide?
The InChIKey is AVQYIQZFJLEKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-7(2)10(13)12-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13).
What are the key properties of N-(4-bromophenyl)-2-methylpropanamide?
N-(4-bromophenyl)-2-methylpropanamide has a molecular weight of 242.12 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-methylpropanamide is sourced from PubChem (CID 532135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).