5-bromo-2-methoxy-N-(2-phenylphenyl)benzamide

C20H16BrNO2 — CID 1300987

IUPAC5-bromo-2-methoxy-N-(2-phenylphenyl)benzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H16BrNO2/c1-24-19-12-11-15(21)13-17(19)20(23)22-18-10-6-5-9-16(18)14-7-3-2-4-8-14/h2-13H,1H3,(H,22,23)
InChIKeyXWVSXGWHZOIQKB-UHFFFAOYSA-N
MW382.26 g/mol
LogP5.38
Rot. Bonds4

About 5-bromo-2-methoxy-N-(2-phenylphenyl)benzamide

5-bromo-2-methoxy-N-(2-phenylphenyl)benzamide (PubChem CID 1300987) has the molecular formula C20H16BrNO2 and a molecular weight of 382.26 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(2-phenylphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(2-phenylphenyl)benzamide
PubChem CID1300987
Molecular FormulaC20H16BrNO2
Molecular Weight382.26 g/mol
Exact Mass381.04
IUPAC Name5-bromo-2-methoxy-N-(2-phenylphenyl)benzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H16BrNO2/c1-24-19-12-11-15(21)13-17(19)20(23)22-18-10-6-5-9-16(18)14-7-3-2-4-8-14/h2-13H,1H3,(H,22,23)
InChIKeyXWVSXGWHZOIQKB-UHFFFAOYSA-N
XLogP5.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.26
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(2-phenylphenyl)benzamide?
The IUPAC name of 5-bromo-2-methoxy-N-(2-phenylphenyl)benzamide (CID 1300987) is 5-bromo-2-methoxy-N-(2-phenylphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(2-phenylphenyl)benzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(2-phenylphenyl)benzamide is COc1ccc(Br)cc1C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 5-bromo-2-methoxy-N-(2-phenylphenyl)benzamide?
The InChIKey is XWVSXGWHZOIQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNO2/c1-24-19-12-11-15(21)13-17(19)20(23)22-18-10-6-5-9-16(18)14-7-3-2-4-8-14/h2-13H,1H3,(H,22,23).
What are the key properties of 5-bromo-2-methoxy-N-(2-phenylphenyl)benzamide?
5-bromo-2-methoxy-N-(2-phenylphenyl)benzamide has a molecular weight of 382.26 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(2-phenylphenyl)benzamide is sourced from PubChem (CID 1300987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).