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

C16H16BrNO4 — CID 8939782

IUPAC2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzamide
SMILESCOc1cc(Br)c(COc2ccccc2C(N)=O)cc1OC
InChIInChI=1S/C16H16BrNO4/c1-20-14-7-10(12(17)8-15(14)21-2)9-22-13-6-4-3-5-11(13)16(18)19/h3-8H,9H2,1-2H3,(H2,18,19)
InChIKeyADHAROXIIBMPMO-UHFFFAOYSA-N
MW366.21 g/mol
LogP3.14
Rot. Bonds6

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

2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzamide (PubChem CID 8939782) has the molecular formula C16H16BrNO4 and a molecular weight of 366.21 g/mol. Its IUPAC name is 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzamide.

Molecular Properties

Compound Name2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzamide
PubChem CID8939782
Molecular FormulaC16H16BrNO4
Molecular Weight366.21 g/mol
Exact Mass365.03
IUPAC Name2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzamide
SMILESCOc1cc(Br)c(COc2ccccc2C(N)=O)cc1OC
InChIInChI=1S/C16H16BrNO4/c1-20-14-7-10(12(17)8-15(14)21-2)9-22-13-6-4-3-5-11(13)16(18)19/h3-8H,9H2,1-2H3,(H2,18,19)
InChIKeyADHAROXIIBMPMO-UHFFFAOYSA-N
XLogP3.14
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromo-2,5-dimethoxyphenyl)methoxy]-4-methoxybenzamide
CID 18143078
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222
2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide
CID 106786214
2-[(4-bromo-2-fluorophenyl)methoxy]benzamide
CID 7640045
2-[(2-amino-5-fluorophenyl)methoxy]benzamide
CID 43443894
methyl 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-4-methoxybenzoate
CID 16563809
1-[1-[2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]phenyl]ethenyl]imidazole
CID 24633273
2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzamide
CID 43218560
2-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24710640
2-[(5-bromo-2-pyridinyl)methoxy]benzamide
CID 104809676
2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid
CID 24699873
2-[(4-carbamothioyl-2-methylphenyl)methoxy]benzamide
CID 114482179

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzamide?
The IUPAC name of 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzamide (CID 8939782) is 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzamide.
What is the SMILES notation for 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzamide?
The canonical SMILES for 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzamide is COc1cc(Br)c(COc2ccccc2C(N)=O)cc1OC.
What is the InChIKey of 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzamide?
The InChIKey is ADHAROXIIBMPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO4/c1-20-14-7-10(12(17)8-15(14)21-2)9-22-13-6-4-3-5-11(13)16(18)19/h3-8H,9H2,1-2H3,(H2,18,19).
What are the key properties of 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzamide?
2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzamide has a molecular weight of 366.21 g/mol, XLogP of 3.14, 6 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-dimethoxyphenyl)methoxy]benzamide is sourced from PubChem (CID 8939782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).