3-(2-bromo-4,5-dimethoxyphenyl)-N-naphthalen-1-ylpropanamide

C21H20BrNO3 — CID 1406311

IUPAC3-(2-bromo-4,5-dimethoxyphenyl)-N-naphthalen-1-ylpropanamide
SMILESCOc1cc(Br)c(CCC(=O)Nc2cccc3ccccc23)cc1OC
InChIInChI=1S/C21H20BrNO3/c1-25-19-12-15(17(22)13-20(19)26-2)10-11-21(24)23-18-9-5-7-14-6-3-4-8-16(14)18/h3-9,12-13H,10-11H2,1-2H3,(H,23,24)
InChIKeyONBLIKLHAZAUMN-UHFFFAOYSA-N
MW414.30 g/mol
LogP5.19
Rot. Bonds6

About 3-(2-bromo-4,5-dimethoxyphenyl)-N-naphthalen-1-ylpropanamide

3-(2-bromo-4,5-dimethoxyphenyl)-N-naphthalen-1-ylpropanamide (PubChem CID 1406311) has the molecular formula C21H20BrNO3 and a molecular weight of 414.30 g/mol. Its IUPAC name is 3-(2-bromo-4,5-dimethoxyphenyl)-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name3-(2-bromo-4,5-dimethoxyphenyl)-N-naphthalen-1-ylpropanamide
PubChem CID1406311
Molecular FormulaC21H20BrNO3
Molecular Weight414.30 g/mol
Exact Mass413.06
IUPAC Name3-(2-bromo-4,5-dimethoxyphenyl)-N-naphthalen-1-ylpropanamide
SMILESCOc1cc(Br)c(CCC(=O)Nc2cccc3ccccc23)cc1OC
InChIInChI=1S/C21H20BrNO3/c1-25-19-12-15(17(22)13-20(19)26-2)10-11-21(24)23-18-9-5-7-14-6-3-4-8-16(14)18/h3-9,12-13H,10-11H2,1-2H3,(H,23,24)
InChIKeyONBLIKLHAZAUMN-UHFFFAOYSA-N
XLogP5.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.30
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-ethylphenyl)propanamide
CID 1406221
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-methoxyphenyl)propanamide
CID 1406231
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-bromo-2-fluorophenyl)propanamide
CID 53267572
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
CID 1406214
3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide
CID 94760233
methyl 4-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]benzoate
CID 1406242
2-(2,5-dimethoxyphenyl)-N-naphthalen-1-ylacetamide
CID 78804407
2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide
CID 16913160
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-butylphenyl)propanamide
CID 2071397
(2,6-dimethylphenyl) 3-(2-bromo-4,5-dimethoxyphenyl)propanoate
CID 1406368

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4,5-dimethoxyphenyl)-N-naphthalen-1-ylpropanamide?
The IUPAC name of 3-(2-bromo-4,5-dimethoxyphenyl)-N-naphthalen-1-ylpropanamide (CID 1406311) is 3-(2-bromo-4,5-dimethoxyphenyl)-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 3-(2-bromo-4,5-dimethoxyphenyl)-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 3-(2-bromo-4,5-dimethoxyphenyl)-N-naphthalen-1-ylpropanamide is COc1cc(Br)c(CCC(=O)Nc2cccc3ccccc23)cc1OC.
What is the InChIKey of 3-(2-bromo-4,5-dimethoxyphenyl)-N-naphthalen-1-ylpropanamide?
The InChIKey is ONBLIKLHAZAUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrNO3/c1-25-19-12-15(17(22)13-20(19)26-2)10-11-21(24)23-18-9-5-7-14-6-3-4-8-16(14)18/h3-9,12-13H,10-11H2,1-2H3,(H,23,24).
What are the key properties of 3-(2-bromo-4,5-dimethoxyphenyl)-N-naphthalen-1-ylpropanamide?
3-(2-bromo-4,5-dimethoxyphenyl)-N-naphthalen-1-ylpropanamide has a molecular weight of 414.30 g/mol, XLogP of 5.19, 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-naphthalen-1-ylpropanamide is sourced from PubChem (CID 1406311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).