3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide

C18H20BrNO3 — CID 1406214

IUPAC3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
SMILESCOc1cc(Br)c(CCC(=O)Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H20BrNO3/c1-12-4-7-14(8-5-12)20-18(21)9-6-13-10-16(22-2)17(23-3)11-15(13)19/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,20,21)
InChIKeyBYJIRHGNNFIBSJ-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.35
Rot. Bonds6

About 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide

3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide (PubChem CID 1406214) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
PubChem CID1406214
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
SMILESCOc1cc(Br)c(CCC(=O)Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H20BrNO3/c1-12-4-7-14(8-5-12)20-18(21)9-6-13-10-16(22-2)17(23-3)11-15(13)19/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,20,21)
InChIKeyBYJIRHGNNFIBSJ-UHFFFAOYSA-N
XLogP4.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methoxyphenyl)propanamide
CID 1406231
methyl 4-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]benzoate
CID 1406242
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-butylphenyl)propanamide
CID 2071397
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-nitrophenyl)propanamide
CID 19236734
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 1406329
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methyl-3-nitrophenyl)propanamide
CID 1406314
2-methylpropyl 4-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]benzoate
CID 1406247
2-[5-bromo-4-(ethylaminomethyl)-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66535177
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-chloro-3-nitrophenyl)propanamide
CID 1406313
3-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 1406358
3-(2-bromo-4,5-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)propanamide
CID 1406234
3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-ethylphenyl)propanamide
CID 1406221

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide (CID 1406214) is 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide is COc1cc(Br)c(CCC(=O)Nc2ccc(C)cc2)cc1OC.
What is the InChIKey of 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide?
The InChIKey is BYJIRHGNNFIBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-12-4-7-14(8-5-12)20-18(21)9-6-13-10-16(22-2)17(23-3)11-15(13)19/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,20,21).
What are the key properties of 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide?
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide has a molecular weight of 378.27 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 1406214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).