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

C19H22BrNO3 — CID 1406221

IUPAC3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCc1cc(OC)c(OC)cc1Br
InChIInChI=1S/C19H22BrNO3/c1-4-13-7-5-6-8-16(13)21-19(22)10-9-14-11-17(23-2)18(24-3)12-15(14)20/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,22)
InChIKeyRJQWYCQDPMYCTR-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.60
Rot. Bonds7

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

3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-ethylphenyl)propanamide (PubChem CID 1406221) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-ethylphenyl)propanamide
PubChem CID1406221
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCc1cc(OC)c(OC)cc1Br
InChIInChI=1S/C19H22BrNO3/c1-4-13-7-5-6-8-16(13)21-19(22)10-9-14-11-17(23-2)18(24-3)12-15(14)20/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,22)
InChIKeyRJQWYCQDPMYCTR-UHFFFAOYSA-N
XLogP4.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromo-4,5-dimethoxyphenyl)-N-naphthalen-1-ylpropanamide
CID 1406311
3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-butoxyphenyl)propanamide
CID 2071400
3-(2-bromo-4,5-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)propanamide
CID 1406234
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-bromo-2-fluorophenyl)propanamide
CID 53267572
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methoxyphenyl)propanamide
CID 1406231
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
CID 1406214
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-butylphenyl)propanamide
CID 2071397
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
methyl 4-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]benzoate
CID 1406242
2-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)acetamide
CID 2674953
N-(2-benzylphenyl)-3-(2-methoxyphenyl)propanamide
CID 8023813
3-(2-bromo-4,5-dimethoxyphenyl)-N-butylpropanamide
CID 2071413

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-ethylphenyl)propanamide?
The IUPAC name of 3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-ethylphenyl)propanamide (CID 1406221) is 3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-ethylphenyl)propanamide.
What is the SMILES notation for 3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-ethylphenyl)propanamide?
The canonical SMILES for 3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-ethylphenyl)propanamide is CCc1ccccc1NC(=O)CCc1cc(OC)c(OC)cc1Br.
What is the InChIKey of 3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-ethylphenyl)propanamide?
The InChIKey is RJQWYCQDPMYCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-4-13-7-5-6-8-16(13)21-19(22)10-9-14-11-17(23-2)18(24-3)12-15(14)20/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,22).
What are the key properties of 3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-ethylphenyl)propanamide?
3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-ethylphenyl)propanamide has a molecular weight of 392.29 g/mol, XLogP of 4.60, 7 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-(2-ethylphenyl)propanamide is sourced from PubChem (CID 1406221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).