2-bromo-4,5-dimethoxy-N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide

C18H18BrNO4 — CID 14526426

IUPAC2-bromo-4,5-dimethoxy-N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide
SMILESCOc1ccc(/C=C/NC(=O)c2cc(OC)c(OC)cc2Br)cc1
InChIInChI=1S/C18H18BrNO4/c1-22-13-6-4-12(5-7-13)8-9-20-18(21)14-10-16(23-2)17(24-3)11-15(14)19/h4-11H,1-3H3,(H,20,21)/b9-8+
InChIKeyKOWZSJUQEMZIEA-CMDGGOBGSA-N
MW392.25 g/mol
LogP3.88
Rot. Bonds6

About 2-bromo-4,5-dimethoxy-N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide

2-bromo-4,5-dimethoxy-N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide (PubChem CID 14526426) has the molecular formula C18H18BrNO4 and a molecular weight of 392.25 g/mol. Its IUPAC name is 2-bromo-4,5-dimethoxy-N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide.

Molecular Properties

Compound Name2-bromo-4,5-dimethoxy-N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide
PubChem CID14526426
Molecular FormulaC18H18BrNO4
Molecular Weight392.25 g/mol
Exact Mass391.04
IUPAC Name2-bromo-4,5-dimethoxy-N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide
SMILESCOc1ccc(/C=C/NC(=O)c2cc(OC)c(OC)cc2Br)cc1
InChIInChI=1S/C18H18BrNO4/c1-22-13-6-4-12(5-7-13)8-9-20-18(21)14-10-16(23-2)17(24-3)11-15(14)19/h4-11H,1-3H3,(H,20,21)/b9-8+
InChIKeyKOWZSJUQEMZIEA-CMDGGOBGSA-N
XLogP3.88
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4,5-dimethoxy-N-[(Z)-2-(4-methoxyphenyl)ethenyl]benzamide
CID 14526427
4-methoxy-N-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline-2-carboxamide
CID 71567335
4-methoxy-N-[(E)-2-phenylethenyl]benzamide
CID 12560217
1,1-diethyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907733
4-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-N-hydroxybenzamide
CID 171352733
2-bromo-1-methoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
CID 92898574
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108907604
(E)-1-(3,5-dibromo-2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 12680387
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907850
N-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide
CID 108907739
1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-methoxypyridin-1-ium-1-yl)ethanone bromide
CID 53344106

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethoxy-N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide?
The IUPAC name of 2-bromo-4,5-dimethoxy-N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide (CID 14526426) is 2-bromo-4,5-dimethoxy-N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide.
What is the SMILES notation for 2-bromo-4,5-dimethoxy-N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide?
The canonical SMILES for 2-bromo-4,5-dimethoxy-N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide is COc1ccc(/C=C/NC(=O)c2cc(OC)c(OC)cc2Br)cc1.
What is the InChIKey of 2-bromo-4,5-dimethoxy-N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide?
The InChIKey is KOWZSJUQEMZIEA-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H18BrNO4/c1-22-13-6-4-12(5-7-13)8-9-20-18(21)14-10-16(23-2)17(24-3)11-15(14)19/h4-11H,1-3H3,(H,20,21)/b9-8+.
What are the key properties of 2-bromo-4,5-dimethoxy-N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide?
2-bromo-4,5-dimethoxy-N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide has a molecular weight of 392.25 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dimethoxy-N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide is sourced from PubChem (CID 14526426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).