4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide

C23H16ClN3O — CID 11523880

IUPAC4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide
SMILESO=C(Nc1cnccn1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H16ClN3O/c24-21-11-10-19(23(28)27-22-15-25-12-13-26-22)14-20(21)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-15H,(H,26,27,28)
InChIKeyUIMRUKFBTILVAP-UHFFFAOYSA-N
MW385.85 g/mol
LogP5.72
Rot. Bonds4

About 4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide

4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide (PubChem CID 11523880) has the molecular formula C23H16ClN3O and a molecular weight of 385.85 g/mol. Its IUPAC name is 4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide
PubChem CID11523880
Molecular FormulaC23H16ClN3O
Molecular Weight385.85 g/mol
Exact Mass385.10
IUPAC Name4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide
SMILESO=C(Nc1cnccn1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H16ClN3O/c24-21-11-10-19(23(28)27-22-15-25-12-13-26-22)14-20(21)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-15H,(H,26,27,28)
InChIKeyUIMRUKFBTILVAP-UHFFFAOYSA-N
XLogP5.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(2-methylsulfanylpyrimidin-5-yl)-3-(4-phenylphenyl)benzamide
CID 11690553
4-chloro-N-(2-methoxypyrimidin-5-yl)-3-(4-phenylphenyl)benzamide
CID 11546154
4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 58791127
N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide
CID 90885243
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylphenyl)benzamide
CID 91399310
3-chloro-4-nitro-N-pyrazin-2-ylbenzamide
CID 82781781
4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 58791112
2-chloro-5-hydroxy-N-pyrazin-2-ylbenzamide
CID 106501440
4-hydroxy-N-pyrazin-2-ylbenzamide
CID 43422735
3-hydroxy-4-methyl-N-pyrazin-2-ylbenzamide
CID 43616193
4-amino-N-pyrazin-2-ylbenzamide
CID 43616023
N-pyrazin-2-yl-1H-indazole-6-carboxamide
CID 62907016

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide?
The IUPAC name of 4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide (CID 11523880) is 4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide is O=C(Nc1cnccn1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide?
The InChIKey is UIMRUKFBTILVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O/c24-21-11-10-19(23(28)27-22-15-25-12-13-26-22)14-20(21)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-15H,(H,26,27,28).
What are the key properties of 4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide?
4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide has a molecular weight of 385.85 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 11523880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).