2-(2-bromo-4,5-diethoxyphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide

C24H25BrN2O3 — CID 60599214

IUPAC2-(2-bromo-4,5-diethoxyphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
SMILESCCOc1cc(Br)c(CC(=O)NC(c2ccccc2)c2ccncc2)cc1OCC
InChIInChI=1S/C24H25BrN2O3/c1-3-29-21-14-19(20(25)16-22(21)30-4-2)15-23(28)27-24(17-8-6-5-7-9-17)18-10-12-26-13-11-18/h5-14,16,24H,3-4,15H2,1-2H3,(H,27,28)
InChIKeyCLFBHLCFRIYKFA-UHFFFAOYSA-N
MW469.38 g/mol
LogP5.09
Rot. Bonds9

About 2-(2-bromo-4,5-diethoxyphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide

2-(2-bromo-4,5-diethoxyphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide (PubChem CID 60599214) has the molecular formula C24H25BrN2O3 and a molecular weight of 469.38 g/mol. Its IUPAC name is 2-(2-bromo-4,5-diethoxyphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-diethoxyphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
PubChem CID60599214
Molecular FormulaC24H25BrN2O3
Molecular Weight469.38 g/mol
Exact Mass468.10
IUPAC Name2-(2-bromo-4,5-diethoxyphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
SMILESCCOc1cc(Br)c(CC(=O)NC(c2ccccc2)c2ccncc2)cc1OCC
InChIInChI=1S/C24H25BrN2O3/c1-3-29-21-14-19(20(25)16-22(21)30-4-2)15-23(28)27-24(17-8-6-5-7-9-17)18-10-12-26-13-11-18/h5-14,16,24H,3-4,15H2,1-2H3,(H,27,28)
InChIKeyCLFBHLCFRIYKFA-UHFFFAOYSA-N
XLogP5.09
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.38
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4,5-dimethoxyphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25325158
2-(2-bromo-4,5-diethoxyphenyl)-N-(2-phenoxyethyl)acetamide
CID 32933896
2-(2-bromo-4,5-diethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 134030779
2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 55537078
2-[(2-bromo-4,5-diethoxyphenyl)methylamino]-1-phenylethanol
CID 66533959
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 60521938
2-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide
CID 9039211
2-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 17447120
3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide
CID 86978352
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 55388733
N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 27648826

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide (CID 60599214) is 2-(2-bromo-4,5-diethoxyphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-diethoxyphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4,5-diethoxyphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide is CCOc1cc(Br)c(CC(=O)NC(c2ccccc2)c2ccncc2)cc1OCC.
What is the InChIKey of 2-(2-bromo-4,5-diethoxyphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide?
The InChIKey is CLFBHLCFRIYKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O3/c1-3-29-21-14-19(20(25)16-22(21)30-4-2)15-23(28)27-24(17-8-6-5-7-9-17)18-10-12-26-13-11-18/h5-14,16,24H,3-4,15H2,1-2H3,(H,27,28).
What are the key properties of 2-(2-bromo-4,5-diethoxyphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide?
2-(2-bromo-4,5-diethoxyphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide has a molecular weight of 469.38 g/mol, XLogP of 5.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-diethoxyphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide is sourced from PubChem (CID 60599214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).