3-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethoxybenzamide

C17H16BrF2NO4 — CID 25482014

IUPAC3-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethoxybenzamide
SMILESCOc1cc(Br)c(OC)c(C(=O)NCc2ccccc2OC(F)F)c1
InChIInChI=1S/C17H16BrF2NO4/c1-23-11-7-12(15(24-2)13(18)8-11)16(22)21-9-10-5-3-4-6-14(10)25-17(19)20/h3-8,17H,9H2,1-2H3,(H,21,22)
InChIKeyXQTVMOPLWHLUCY-UHFFFAOYSA-N
MW416.22 g/mol
LogP4.00
Rot. Bonds7

About 3-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethoxybenzamide

3-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethoxybenzamide (PubChem CID 25482014) has the molecular formula C17H16BrF2NO4 and a molecular weight of 416.22 g/mol. Its IUPAC name is 3-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethoxybenzamide
PubChem CID25482014
Molecular FormulaC17H16BrF2NO4
Molecular Weight416.22 g/mol
Exact Mass415.02
IUPAC Name3-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethoxybenzamide
SMILESCOc1cc(Br)c(OC)c(C(=O)NCc2ccccc2OC(F)F)c1
InChIInChI=1S/C17H16BrF2NO4/c1-23-11-7-12(15(24-2)13(18)8-11)16(22)21-9-10-5-3-4-6-14(10)25-17(19)20/h3-8,17H,9H2,1-2H3,(H,21,22)
InChIKeyXQTVMOPLWHLUCY-UHFFFAOYSA-N
XLogP4.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.22
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 17455488
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 18143923
2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 103754084
3-bromo-2,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 24625138
5-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 24611724
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 30462324
N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide
CID 107358541
N-[[2-(difluoromethoxy)phenyl]methyl]-6,7-dimethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 46100442
2-methoxy-N-[(2-methoxyphenyl)methyl]-3,5-dimethylbenzamide
CID 110762822
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119700388

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethoxybenzamide?
The IUPAC name of 3-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethoxybenzamide (CID 25482014) is 3-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethoxybenzamide.
What is the SMILES notation for 3-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethoxybenzamide?
The canonical SMILES for 3-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethoxybenzamide is COc1cc(Br)c(OC)c(C(=O)NCc2ccccc2OC(F)F)c1.
What is the InChIKey of 3-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethoxybenzamide?
The InChIKey is XQTVMOPLWHLUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2NO4/c1-23-11-7-12(15(24-2)13(18)8-11)16(22)21-9-10-5-3-4-6-14(10)25-17(19)20/h3-8,17H,9H2,1-2H3,(H,21,22).
What are the key properties of 3-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethoxybenzamide?
3-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethoxybenzamide has a molecular weight of 416.22 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethoxybenzamide is sourced from PubChem (CID 25482014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).