4-[2-(2-bromophenyl)-6-(4-nitrophenyl)-4-pyridinyl]benzamide

C24H16BrN3O3 — CID 118153407

IUPAC4-[2-(2-bromophenyl)-6-(4-nitrophenyl)-4-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccccc3Br)c2)cc1
InChIInChI=1S/C24H16BrN3O3/c25-21-4-2-1-3-20(21)23-14-18(15-5-7-17(8-6-15)24(26)29)13-22(27-23)16-9-11-19(12-10-16)28(30)31/h1-14H,(H2,26,29)
InChIKeyWORMNFUXWGNEAU-UHFFFAOYSA-N
MW474.31 g/mol
LogP5.85
Rot. Bonds5

About 4-[2-(2-bromophenyl)-6-(4-nitrophenyl)-4-pyridinyl]benzamide

4-[2-(2-bromophenyl)-6-(4-nitrophenyl)-4-pyridinyl]benzamide (PubChem CID 118153407) has the molecular formula C24H16BrN3O3 and a molecular weight of 474.31 g/mol. Its IUPAC name is 4-[2-(2-bromophenyl)-6-(4-nitrophenyl)-4-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[2-(2-bromophenyl)-6-(4-nitrophenyl)-4-pyridinyl]benzamide
PubChem CID118153407
Molecular FormulaC24H16BrN3O3
Molecular Weight474.31 g/mol
Exact Mass473.04
IUPAC Name4-[2-(2-bromophenyl)-6-(4-nitrophenyl)-4-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccccc3Br)c2)cc1
InChIInChI=1S/C24H16BrN3O3/c25-21-4-2-1-3-20(21)23-14-18(15-5-7-17(8-6-15)24(26)29)13-22(27-23)16-9-11-19(12-10-16)28(30)31/h1-14H,(H2,26,29)
InChIKeyWORMNFUXWGNEAU-UHFFFAOYSA-N
XLogP5.85
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.31
LogP ≤ 55.85
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromophenyl)-6-(4-nitrophenyl)-4-pyridinyl]benzamide?
The IUPAC name of 4-[2-(2-bromophenyl)-6-(4-nitrophenyl)-4-pyridinyl]benzamide (CID 118153407) is 4-[2-(2-bromophenyl)-6-(4-nitrophenyl)-4-pyridinyl]benzamide.
What is the SMILES notation for 4-[2-(2-bromophenyl)-6-(4-nitrophenyl)-4-pyridinyl]benzamide?
The canonical SMILES for 4-[2-(2-bromophenyl)-6-(4-nitrophenyl)-4-pyridinyl]benzamide is NC(=O)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccccc3Br)c2)cc1.
What is the InChIKey of 4-[2-(2-bromophenyl)-6-(4-nitrophenyl)-4-pyridinyl]benzamide?
The InChIKey is WORMNFUXWGNEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrN3O3/c25-21-4-2-1-3-20(21)23-14-18(15-5-7-17(8-6-15)24(26)29)13-22(27-23)16-9-11-19(12-10-16)28(30)31/h1-14H,(H2,26,29).
What are the key properties of 4-[2-(2-bromophenyl)-6-(4-nitrophenyl)-4-pyridinyl]benzamide?
4-[2-(2-bromophenyl)-6-(4-nitrophenyl)-4-pyridinyl]benzamide has a molecular weight of 474.31 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromophenyl)-6-(4-nitrophenyl)-4-pyridinyl]benzamide is sourced from PubChem (CID 118153407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).