2-bromo-N-(2,5-dimethoxyphenyl)benzamide

C15H14BrNO3 — CID 532190

IUPAC2-bromo-N-(2,5-dimethoxyphenyl)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C15H14BrNO3/c1-19-10-7-8-14(20-2)13(9-10)17-15(18)11-5-3-4-6-12(11)16/h3-9H,1-2H3,(H,17,18)
InChIKeyHDXJPXBBMPRJKN-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.72
Rot. Bonds4

About 2-bromo-N-(2,5-dimethoxyphenyl)benzamide

2-bromo-N-(2,5-dimethoxyphenyl)benzamide (PubChem CID 532190) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-bromo-N-(2,5-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2,5-dimethoxyphenyl)benzamide
PubChem CID532190
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name2-bromo-N-(2,5-dimethoxyphenyl)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C15H14BrNO3/c1-19-10-7-8-14(20-2)13(9-10)17-15(18)11-5-3-4-6-12(11)16/h3-9H,1-2H3,(H,17,18)
InChIKeyHDXJPXBBMPRJKN-UHFFFAOYSA-N
XLogP3.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,5-dimethoxyphenyl)benzamide?
The IUPAC name of 2-bromo-N-(2,5-dimethoxyphenyl)benzamide (CID 532190) is 2-bromo-N-(2,5-dimethoxyphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2,5-dimethoxyphenyl)benzamide?
The canonical SMILES for 2-bromo-N-(2,5-dimethoxyphenyl)benzamide is COc1ccc(OC)c(NC(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-(2,5-dimethoxyphenyl)benzamide?
The InChIKey is HDXJPXBBMPRJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-19-10-7-8-14(20-2)13(9-10)17-15(18)11-5-3-4-6-12(11)16/h3-9H,1-2H3,(H,17,18).
What are the key properties of 2-bromo-N-(2,5-dimethoxyphenyl)benzamide?
2-bromo-N-(2,5-dimethoxyphenyl)benzamide has a molecular weight of 336.19 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,5-dimethoxyphenyl)benzamide is sourced from PubChem (CID 532190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).