N-(4-bromo-3-pyridinyl)-3-naphthalen-2-ylbenzamide

C22H15BrN2O — CID 118722847

IUPACN-(4-bromo-3-pyridinyl)-3-naphthalen-2-ylbenzamide
SMILESO=C(Nc1cnccc1Br)c1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C22H15BrN2O/c23-20-10-11-24-14-21(20)25-22(26)19-7-3-6-17(13-19)18-9-8-15-4-1-2-5-16(15)12-18/h1-14H,(H,25,26)
InChIKeyCPSPDZNAUKTMPS-UHFFFAOYSA-N
MW403.28 g/mol
LogP5.92
Rot. Bonds3

About N-(4-bromo-3-pyridinyl)-3-naphthalen-2-ylbenzamide

N-(4-bromo-3-pyridinyl)-3-naphthalen-2-ylbenzamide (PubChem CID 118722847) has the molecular formula C22H15BrN2O and a molecular weight of 403.28 g/mol. Its IUPAC name is N-(4-bromo-3-pyridinyl)-3-naphthalen-2-ylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-pyridinyl)-3-naphthalen-2-ylbenzamide
PubChem CID118722847
Molecular FormulaC22H15BrN2O
Molecular Weight403.28 g/mol
Exact Mass402.04
IUPAC NameN-(4-bromo-3-pyridinyl)-3-naphthalen-2-ylbenzamide
SMILESO=C(Nc1cnccc1Br)c1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C22H15BrN2O/c23-20-10-11-24-14-21(20)25-22(26)19-7-3-6-17(13-19)18-9-8-15-4-1-2-5-16(15)12-18/h1-14H,(H,25,26)
InChIKeyCPSPDZNAUKTMPS-UHFFFAOYSA-N
XLogP5.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.28
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-pyridinyl)-3-naphthalen-2-ylbenzamide?
The IUPAC name of N-(4-bromo-3-pyridinyl)-3-naphthalen-2-ylbenzamide (CID 118722847) is N-(4-bromo-3-pyridinyl)-3-naphthalen-2-ylbenzamide.
What is the SMILES notation for N-(4-bromo-3-pyridinyl)-3-naphthalen-2-ylbenzamide?
The canonical SMILES for N-(4-bromo-3-pyridinyl)-3-naphthalen-2-ylbenzamide is O=C(Nc1cnccc1Br)c1cccc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of N-(4-bromo-3-pyridinyl)-3-naphthalen-2-ylbenzamide?
The InChIKey is CPSPDZNAUKTMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN2O/c23-20-10-11-24-14-21(20)25-22(26)19-7-3-6-17(13-19)18-9-8-15-4-1-2-5-16(15)12-18/h1-14H,(H,25,26).
What are the key properties of N-(4-bromo-3-pyridinyl)-3-naphthalen-2-ylbenzamide?
N-(4-bromo-3-pyridinyl)-3-naphthalen-2-ylbenzamide has a molecular weight of 403.28 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-pyridinyl)-3-naphthalen-2-ylbenzamide is sourced from PubChem (CID 118722847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).