4-bromo-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]benzamide

C20H12Br2ClNO2 — CID 603859

IUPAC4-bromo-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C20H12Br2ClNO2/c21-13-7-5-12(6-8-13)20(26)24-18-10-9-14(22)11-16(18)19(25)15-3-1-2-4-17(15)23/h1-11H,(H,24,26)
InChIKeyZOLLMQQARCKROD-UHFFFAOYSA-N
MW493.58 g/mol
LogP6.35
Rot. Bonds4

About 4-bromo-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]benzamide

4-bromo-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]benzamide (PubChem CID 603859) has the molecular formula C20H12Br2ClNO2 and a molecular weight of 493.58 g/mol. Its IUPAC name is 4-bromo-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]benzamide
PubChem CID603859
Molecular FormulaC20H12Br2ClNO2
Molecular Weight493.58 g/mol
Exact Mass490.89
IUPAC Name4-bromo-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C20H12Br2ClNO2/c21-13-7-5-12(6-8-13)20(26)24-18-10-9-14(22)11-16(18)19(25)15-3-1-2-4-17(15)23/h1-11H,(H,24,26)
InChIKeyZOLLMQQARCKROD-UHFFFAOYSA-N
XLogP6.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.58
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]benzamide (CID 603859) is 4-bromo-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]benzamide is O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]benzamide?
The InChIKey is ZOLLMQQARCKROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br2ClNO2/c21-13-7-5-12(6-8-13)20(26)24-18-10-9-14(22)11-16(18)19(25)15-3-1-2-4-17(15)23/h1-11H,(H,24,26).
What are the key properties of 4-bromo-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]benzamide?
4-bromo-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]benzamide has a molecular weight of 493.58 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]benzamide is sourced from PubChem (CID 603859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).