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

C18H20BrNO4 — CID 1406231

IUPAC3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2cc(OC)c(OC)cc2Br)cc1
InChIInChI=1S/C18H20BrNO4/c1-22-14-7-5-13(6-8-14)20-18(21)9-4-12-10-16(23-2)17(24-3)11-15(12)19/h5-8,10-11H,4,9H2,1-3H3,(H,20,21)
InChIKeyKLSOIWWRMPMBAM-UHFFFAOYSA-N
MW394.27 g/mol
LogP4.05
Rot. Bonds7

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

3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methoxyphenyl)propanamide (PubChem CID 1406231) has the molecular formula C18H20BrNO4 and a molecular weight of 394.27 g/mol. Its IUPAC name is 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methoxyphenyl)propanamide
PubChem CID1406231
Molecular FormulaC18H20BrNO4
Molecular Weight394.27 g/mol
Exact Mass393.06
IUPAC Name3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2cc(OC)c(OC)cc2Br)cc1
InChIInChI=1S/C18H20BrNO4/c1-22-14-7-5-13(6-8-14)20-18(21)9-4-12-10-16(23-2)17(24-3)11-15(12)19/h5-8,10-11H,4,9H2,1-3H3,(H,20,21)
InChIKeyKLSOIWWRMPMBAM-UHFFFAOYSA-N
XLogP4.05
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
CID 1406214
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-(2,4-dimethoxyphenyl)propanamide
CID 1406234
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
2-methylpropyl 4-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]benzoate
CID 1406247
3-(2-bromo-4,5-dimethoxyphenyl)-N-naphthalen-1-ylpropanamide
CID 1406311
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methyl-3-nitrophenyl)propanamide
CID 1406314
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-ethylphenyl)propanamide
CID 1406221

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methoxyphenyl)propanamide (CID 1406231) is 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCc2cc(OC)c(OC)cc2Br)cc1.
What is the InChIKey of 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methoxyphenyl)propanamide?
The InChIKey is KLSOIWWRMPMBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4/c1-22-14-7-5-13(6-8-14)20-18(21)9-4-12-10-16(23-2)17(24-3)11-15(12)19/h5-8,10-11H,4,9H2,1-3H3,(H,20,21).
What are the key properties of 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methoxyphenyl)propanamide?
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methoxyphenyl)propanamide has a molecular weight of 394.27 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 1406231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).