4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-nitrobenzamide

C15H11Br2ClN2O4 — CID 26159725

IUPAC4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-nitrobenzamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11Br2ClN2O4/c1-2-24-14-11(17)6-9(18)7-12(14)19-15(21)8-3-4-10(16)13(5-8)20(22)23/h3-7H,2H2,1H3,(H,19,21)
InChIKeyJACNSIOWBYQGLV-UHFFFAOYSA-N
MW478.52 g/mol
LogP5.42
Rot. Bonds5

About 4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-nitrobenzamide

4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-nitrobenzamide (PubChem CID 26159725) has the molecular formula C15H11Br2ClN2O4 and a molecular weight of 478.52 g/mol. Its IUPAC name is 4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-nitrobenzamide
PubChem CID26159725
Molecular FormulaC15H11Br2ClN2O4
Molecular Weight478.52 g/mol
Exact Mass475.88
IUPAC Name4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-nitrobenzamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11Br2ClN2O4/c1-2-24-14-11(17)6-9(18)7-12(14)19-15(21)8-3-4-10(16)13(5-8)20(22)23/h3-7H,2H2,1H3,(H,19,21)
InChIKeyJACNSIOWBYQGLV-UHFFFAOYSA-N
XLogP5.42
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.52
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-nitrobenzamide 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

N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-fluorobenzamide
CID 26159493
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide
CID 30208430
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 30208444
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-nitrobenzamide
CID 16613954
3-[(4-bromo-3-nitrobenzoyl)amino]-4-chloro-N-propan-2-ylbenzamide
CID 55896579
4-bromo-N-(4-ethoxy-3-methoxyphenyl)-3-nitrobenzamide
CID 9100253
2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(4-nitrophenyl)acetamide
CID 24615148
4-bromo-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide
CID 103774675
4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-1H-pyrrole-2-carboxamide
CID 60710210
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloropyridine-3-carboxamide
CID 60710404
N-(3-bromo-5-fluoro-2-methoxyphenyl)-4-chloro-3-nitrobenzamide
CID 17496278
ethyl 2-[(4-bromo-3-nitrobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 26902197

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-nitrobenzamide?
The IUPAC name of 4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-nitrobenzamide (CID 26159725) is 4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-nitrobenzamide?
The canonical SMILES for 4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-nitrobenzamide is CCOc1c(Br)cc(Cl)cc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1.
What is the InChIKey of 4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-nitrobenzamide?
The InChIKey is JACNSIOWBYQGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2ClN2O4/c1-2-24-14-11(17)6-9(18)7-12(14)19-15(21)8-3-4-10(16)13(5-8)20(22)23/h3-7H,2H2,1H3,(H,19,21).
What are the key properties of 4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-nitrobenzamide?
4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-nitrobenzamide has a molecular weight of 478.52 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-nitrobenzamide is sourced from PubChem (CID 26159725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).