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

C11H14BrNO2 — CID 55209257

IUPACN-(3-bromo-4-methylphenyl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C11H14BrNO2/c1-8-3-4-9(7-10(8)12)13-11(14)5-6-15-2/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyXXYBKNJRTZGYJS-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.73
Rot. Bonds4

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

N-(3-bromo-4-methylphenyl)-3-methoxypropanamide (PubChem CID 55209257) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-3-methoxypropanamide
PubChem CID55209257
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-(3-bromo-4-methylphenyl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C11H14BrNO2/c1-8-3-4-9(7-10(8)12)13-11(14)5-6-15-2/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyXXYBKNJRTZGYJS-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-methylphenyl)-3-ethoxypropanamide
CID 55219341
N'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943352
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
N'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide
CID 108984242
N-(3-bromo-4-methylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109039288
6-amino-N-(3-bromo-4-methylphenyl)hexanamide
CID 63334946
N-(3-bromo-4-methylphenyl)-4-(propan-2-ylamino)butanamide
CID 63334817
5-amino-N-(3-bromo-4-methylphenyl)-4-methylpentanamide
CID 82688133
7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride
CID 119704606
4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide
CID 55738606
2-[acetyl(3-methoxypropyl)amino]-N-(3-bromo-4-methylphenyl)acetamide
CID 113160116
3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide
CID 63334451

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-3-methoxypropanamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-3-methoxypropanamide (CID 55209257) is N-(3-bromo-4-methylphenyl)-3-methoxypropanamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-3-methoxypropanamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-3-methoxypropanamide is COCCC(=O)Nc1ccc(C)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-3-methoxypropanamide?
The InChIKey is XXYBKNJRTZGYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-8-3-4-9(7-10(8)12)13-11(14)5-6-15-2/h3-4,7H,5-6H2,1-2H3,(H,13,14).
What are the key properties of N-(3-bromo-4-methylphenyl)-3-methoxypropanamide?
N-(3-bromo-4-methylphenyl)-3-methoxypropanamide has a molecular weight of 272.14 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-3-methoxypropanamide is sourced from PubChem (CID 55209257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).