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

C10H12BrNO — CID 802529

IUPACN-(4-bromo-3-methylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C10H12BrNO/c1-3-10(13)12-8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeySLWXKBPASHAZPH-UHFFFAOYSA-N
MW242.12 g/mol
LogP3.11
Rot. Bonds2

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

N-(4-bromo-3-methylphenyl)propanamide (PubChem CID 802529) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)propanamide
PubChem CID802529
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC NameN-(4-bromo-3-methylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C10H12BrNO/c1-3-10(13)12-8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeySLWXKBPASHAZPH-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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)propanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)propanamide (CID 802529) is N-(4-bromo-3-methylphenyl)propanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)propanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)propanamide is CCC(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)propanamide?
The InChIKey is SLWXKBPASHAZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-3-10(13)12-8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of N-(4-bromo-3-methylphenyl)propanamide?
N-(4-bromo-3-methylphenyl)propanamide has a molecular weight of 242.12 g/mol, XLogP of 3.11, 2 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)propanamide is sourced from PubChem (CID 802529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).