3-bromo-N-(3-naphthalen-2-ylphenyl)benzamide

C23H16BrNO — CID 118722828

IUPAC3-bromo-N-(3-naphthalen-2-ylphenyl)benzamide
SMILESO=C(Nc1cccc(-c2ccc3ccccc3c2)c1)c1cccc(Br)c1
InChIInChI=1S/C23H16BrNO/c24-21-9-3-8-20(14-21)23(26)25-22-10-4-7-18(15-22)19-12-11-16-5-1-2-6-17(16)13-19/h1-15H,(H,25,26)
InChIKeyZUZGDMYOHGBAPN-UHFFFAOYSA-N
MW402.29 g/mol
LogP6.52
Rot. Bonds3

About 3-bromo-N-(3-naphthalen-2-ylphenyl)benzamide

3-bromo-N-(3-naphthalen-2-ylphenyl)benzamide (PubChem CID 118722828) has the molecular formula C23H16BrNO and a molecular weight of 402.29 g/mol. Its IUPAC name is 3-bromo-N-(3-naphthalen-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(3-naphthalen-2-ylphenyl)benzamide
PubChem CID118722828
Molecular FormulaC23H16BrNO
Molecular Weight402.29 g/mol
Exact Mass401.04
IUPAC Name3-bromo-N-(3-naphthalen-2-ylphenyl)benzamide
SMILESO=C(Nc1cccc(-c2ccc3ccccc3c2)c1)c1cccc(Br)c1
InChIInChI=1S/C23H16BrNO/c24-21-9-3-8-20(14-21)23(26)25-22-10-4-7-18(15-22)19-12-11-16-5-1-2-6-17(16)13-19/h1-15H,(H,25,26)
InChIKeyZUZGDMYOHGBAPN-UHFFFAOYSA-N
XLogP6.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.29
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-naphthalen-2-ylphenyl)benzamide?
The IUPAC name of 3-bromo-N-(3-naphthalen-2-ylphenyl)benzamide (CID 118722828) is 3-bromo-N-(3-naphthalen-2-ylphenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(3-naphthalen-2-ylphenyl)benzamide?
The canonical SMILES for 3-bromo-N-(3-naphthalen-2-ylphenyl)benzamide is O=C(Nc1cccc(-c2ccc3ccccc3c2)c1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(3-naphthalen-2-ylphenyl)benzamide?
The InChIKey is ZUZGDMYOHGBAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrNO/c24-21-9-3-8-20(14-21)23(26)25-22-10-4-7-18(15-22)19-12-11-16-5-1-2-6-17(16)13-19/h1-15H,(H,25,26).
What are the key properties of 3-bromo-N-(3-naphthalen-2-ylphenyl)benzamide?
3-bromo-N-(3-naphthalen-2-ylphenyl)benzamide has a molecular weight of 402.29 g/mol, XLogP of 6.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-naphthalen-2-ylphenyl)benzamide is sourced from PubChem (CID 118722828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).