2-[(4-bromo-2,5-dimethoxyphenyl)methoxy]-4-methoxybenzamide

C17H18BrNO5 — CID 18143078

IUPAC2-[(4-bromo-2,5-dimethoxyphenyl)methoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCc2cc(OC)c(Br)cc2OC)c1
InChIInChI=1S/C17H18BrNO5/c1-21-11-4-5-12(17(19)20)15(7-11)24-9-10-6-16(23-3)13(18)8-14(10)22-2/h4-8H,9H2,1-3H3,(H2,19,20)
InChIKeyNGWUEBSEJMTFPU-UHFFFAOYSA-N
MW396.24 g/mol
LogP3.15
Rot. Bonds7

About 2-[(4-bromo-2,5-dimethoxyphenyl)methoxy]-4-methoxybenzamide

2-[(4-bromo-2,5-dimethoxyphenyl)methoxy]-4-methoxybenzamide (PubChem CID 18143078) has the molecular formula C17H18BrNO5 and a molecular weight of 396.24 g/mol. Its IUPAC name is 2-[(4-bromo-2,5-dimethoxyphenyl)methoxy]-4-methoxybenzamide.

Molecular Properties

Compound Name2-[(4-bromo-2,5-dimethoxyphenyl)methoxy]-4-methoxybenzamide
PubChem CID18143078
Molecular FormulaC17H18BrNO5
Molecular Weight396.24 g/mol
Exact Mass395.04
IUPAC Name2-[(4-bromo-2,5-dimethoxyphenyl)methoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCc2cc(OC)c(Br)cc2OC)c1
InChIInChI=1S/C17H18BrNO5/c1-21-11-4-5-12(17(19)20)15(7-11)24-9-10-6-16(23-3)13(18)8-14(10)22-2/h4-8H,9H2,1-3H3,(H2,19,20)
InChIKeyNGWUEBSEJMTFPU-UHFFFAOYSA-N
XLogP3.15
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-4-methoxybenzoate
CID 16563809
2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzamide
CID 8939782
2-[(2-cyanophenyl)methoxy]-4-methoxybenzamide
CID 18089225
2-[(3-fluorophenyl)methoxy]-4-methoxybenzamide
CID 17495497
2-(1,3-benzodioxol-5-ylmethoxy)-4-methoxybenzamide
CID 18166105
5-bromo-2,4-dimethoxybenzoic acid;2,4-dimethoxybenzoic acid
CID 158809754
4-amino-2-(2,5-dibromo-4-methoxyphenoxy)benzamide
CID 79407435
4-methoxy-2-(2-phenoxyethoxy)benzamide
CID 18085843
(4-bromo-2,5-dimethoxyphenyl)methyl 3-methylthiophene-2-carboxylate
CID 7835083
(4-bromo-2,5-dimethoxyphenyl)methyl 2-(4-cyanophenoxy)acetate
CID 9140937
2-methoxy-4-(2-oxopropoxy)benzamide
CID 91220438
2,4-dimethoxybenzoate
CID 6947027

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2,5-dimethoxyphenyl)methoxy]-4-methoxybenzamide?
The IUPAC name of 2-[(4-bromo-2,5-dimethoxyphenyl)methoxy]-4-methoxybenzamide (CID 18143078) is 2-[(4-bromo-2,5-dimethoxyphenyl)methoxy]-4-methoxybenzamide.
What is the SMILES notation for 2-[(4-bromo-2,5-dimethoxyphenyl)methoxy]-4-methoxybenzamide?
The canonical SMILES for 2-[(4-bromo-2,5-dimethoxyphenyl)methoxy]-4-methoxybenzamide is COc1ccc(C(N)=O)c(OCc2cc(OC)c(Br)cc2OC)c1.
What is the InChIKey of 2-[(4-bromo-2,5-dimethoxyphenyl)methoxy]-4-methoxybenzamide?
The InChIKey is NGWUEBSEJMTFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO5/c1-21-11-4-5-12(17(19)20)15(7-11)24-9-10-6-16(23-3)13(18)8-14(10)22-2/h4-8H,9H2,1-3H3,(H2,19,20).
What are the key properties of 2-[(4-bromo-2,5-dimethoxyphenyl)methoxy]-4-methoxybenzamide?
2-[(4-bromo-2,5-dimethoxyphenyl)methoxy]-4-methoxybenzamide has a molecular weight of 396.24 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2,5-dimethoxyphenyl)methoxy]-4-methoxybenzamide is sourced from PubChem (CID 18143078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).