2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide

C14H18Br2N2O4 — CID 34673873

IUPAC2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide
SMILESCOCCNC(=O)c1cc(Br)c(C(=O)NCCOC)cc1Br
InChIInChI=1S/C14H18Br2N2O4/c1-21-5-3-17-13(19)9-7-12(16)10(8-11(9)15)14(20)18-4-6-22-2/h7-8H,3-6H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyCPLICXBCUOMBSR-UHFFFAOYSA-N
MW438.12 g/mol
LogP1.96
Rot. Bonds8

About 2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide

2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide (PubChem CID 34673873) has the molecular formula C14H18Br2N2O4 and a molecular weight of 438.12 g/mol. Its IUPAC name is 2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide
PubChem CID34673873
Molecular FormulaC14H18Br2N2O4
Molecular Weight438.12 g/mol
Exact Mass435.96
IUPAC Name2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide
SMILESCOCCNC(=O)c1cc(Br)c(C(=O)NCCOC)cc1Br
InChIInChI=1S/C14H18Br2N2O4/c1-21-5-3-17-13(19)9-7-12(16)10(8-11(9)15)14(20)18-4-6-22-2/h7-8H,3-6H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyCPLICXBCUOMBSR-UHFFFAOYSA-N
XLogP1.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.12
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide 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

2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 129393787
2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 31540706
5-bromo-6-ethyl-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491067
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 103764472
2-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 103763962
3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide
CID 107871969
4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide
CID 57338151
2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 60668712
4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide
CID 43090254

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide (CID 34673873) is 2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide is COCCNC(=O)c1cc(Br)c(C(=O)NCCOC)cc1Br.
What is the InChIKey of 2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide?
The InChIKey is CPLICXBCUOMBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O4/c1-21-5-3-17-13(19)9-7-12(16)10(8-11(9)15)14(20)18-4-6-22-2/h7-8H,3-6H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide?
2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide has a molecular weight of 438.12 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 34673873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).