3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide

C19H22BrNO4 — CID 26181168

IUPAC3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
SMILESCCOc1c(Br)cc(C(=O)NCCc2ccccc2OC)cc1OC
InChIInChI=1S/C19H22BrNO4/c1-4-25-18-15(20)11-14(12-17(18)24-3)19(22)21-10-9-13-7-5-6-8-16(13)23-2/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,22)
InChIKeyJHGUBSWGHHHXGC-UHFFFAOYSA-N
MW408.29 g/mol
LogP3.84
Rot. Bonds8

About 3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide

3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 26181168) has the molecular formula C19H22BrNO4 and a molecular weight of 408.29 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
PubChem CID26181168
Molecular FormulaC19H22BrNO4
Molecular Weight408.29 g/mol
Exact Mass407.07
IUPAC Name3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
SMILESCCOc1c(Br)cc(C(=O)NCCc2ccccc2OC)cc1OC
InChIInChI=1S/C19H22BrNO4/c1-4-25-18-15(20)11-14(12-17(18)24-3)19(22)21-10-9-13-7-5-6-8-16(13)23-2/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,22)
InChIKeyJHGUBSWGHHHXGC-UHFFFAOYSA-N
XLogP3.84
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide
CID 7935341
3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide
CID 26903200
3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide
CID 39482983
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214
3-bromo-4-ethoxy-5-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499914
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946
3-bromo-4-ethoxy-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 78796502
3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26732731
3-bromo-N-[[2-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-5-methoxybenzamide
CID 26722982
N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110605237
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
N-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119527394

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide (CID 26181168) is 3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide is CCOc1c(Br)cc(C(=O)NCCc2ccccc2OC)cc1OC.
What is the InChIKey of 3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is JHGUBSWGHHHXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO4/c1-4-25-18-15(20)11-14(12-17(18)24-3)19(22)21-10-9-13-7-5-6-8-16(13)23-2/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,22).
What are the key properties of 3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide?
3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide has a molecular weight of 408.29 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 26181168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).