3-bromo-N-(3,4-dimethoxyphenyl)-2,5-dimethoxybenzamide

C17H18BrNO5 — CID 17493489

IUPAC3-bromo-N-(3,4-dimethoxyphenyl)-2,5-dimethoxybenzamide
SMILESCOc1cc(Br)c(OC)c(C(=O)Nc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C17H18BrNO5/c1-21-11-8-12(16(24-4)13(18)9-11)17(20)19-10-5-6-14(22-2)15(7-10)23-3/h5-9H,1-4H3,(H,19,20)
InChIKeyQKAQTFGPNAWZLY-UHFFFAOYSA-N
MW396.24 g/mol
LogP3.74
Rot. Bonds6

About 3-bromo-N-(3,4-dimethoxyphenyl)-2,5-dimethoxybenzamide

3-bromo-N-(3,4-dimethoxyphenyl)-2,5-dimethoxybenzamide (PubChem CID 17493489) has the molecular formula C17H18BrNO5 and a molecular weight of 396.24 g/mol. Its IUPAC name is 3-bromo-N-(3,4-dimethoxyphenyl)-2,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(3,4-dimethoxyphenyl)-2,5-dimethoxybenzamide
PubChem CID17493489
Molecular FormulaC17H18BrNO5
Molecular Weight396.24 g/mol
Exact Mass395.04
IUPAC Name3-bromo-N-(3,4-dimethoxyphenyl)-2,5-dimethoxybenzamide
SMILESCOc1cc(Br)c(OC)c(C(=O)Nc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C17H18BrNO5/c1-21-11-8-12(16(24-4)13(18)9-11)17(20)19-10-5-6-14(22-2)15(7-10)23-3/h5-9H,1-4H3,(H,19,20)
InChIKeyQKAQTFGPNAWZLY-UHFFFAOYSA-N
XLogP3.74
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-bromo-N-(3,4-dimethoxyphenyl)-2,5-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(4-fluorophenyl)-2,5-dimethoxybenzamide
CID 24640379
2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
CID 990540
3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide
CID 115661440
2-bromo-N-(3,4-dimethoxyphenyl)-5-sulfanylbenzamide
CID 107020368
3-bromo-N,2,5-trimethoxybenzamide
CID 60713137
N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide
CID 33309581
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
3-bromo-5-chloro-N-(4-chlorophenyl)-2-methoxybenzamide
CID 67556921
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
2-bromo-3,4,5-trimethoxy-N-(4-methoxyphenyl)benzamide
CID 19171527
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,4-dimethoxyphenyl)-2,5-dimethoxybenzamide?
The IUPAC name of 3-bromo-N-(3,4-dimethoxyphenyl)-2,5-dimethoxybenzamide (CID 17493489) is 3-bromo-N-(3,4-dimethoxyphenyl)-2,5-dimethoxybenzamide.
What is the SMILES notation for 3-bromo-N-(3,4-dimethoxyphenyl)-2,5-dimethoxybenzamide?
The canonical SMILES for 3-bromo-N-(3,4-dimethoxyphenyl)-2,5-dimethoxybenzamide is COc1cc(Br)c(OC)c(C(=O)Nc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 3-bromo-N-(3,4-dimethoxyphenyl)-2,5-dimethoxybenzamide?
The InChIKey is QKAQTFGPNAWZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO5/c1-21-11-8-12(16(24-4)13(18)9-11)17(20)19-10-5-6-14(22-2)15(7-10)23-3/h5-9H,1-4H3,(H,19,20).
What are the key properties of 3-bromo-N-(3,4-dimethoxyphenyl)-2,5-dimethoxybenzamide?
3-bromo-N-(3,4-dimethoxyphenyl)-2,5-dimethoxybenzamide has a molecular weight of 396.24 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,4-dimethoxyphenyl)-2,5-dimethoxybenzamide is sourced from PubChem (CID 17493489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).