4-chloro-N-(6-fluoro-3-pyridinyl)-3-(4-phenylphenyl)benzamide

C24H16ClFN2O — CID 11589463

IUPAC4-chloro-N-(6-fluoro-3-pyridinyl)-3-(4-phenylphenyl)benzamide
SMILESO=C(Nc1ccc(F)nc1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H16ClFN2O/c25-22-12-10-19(24(29)28-20-11-13-23(26)27-15-20)14-21(22)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-15H,(H,28,29)
InChIKeyNVGKAWGGCNVRPU-UHFFFAOYSA-N
MW402.86 g/mol
LogP6.46
Rot. Bonds4

About 4-chloro-N-(6-fluoro-3-pyridinyl)-3-(4-phenylphenyl)benzamide

4-chloro-N-(6-fluoro-3-pyridinyl)-3-(4-phenylphenyl)benzamide (PubChem CID 11589463) has the molecular formula C24H16ClFN2O and a molecular weight of 402.86 g/mol. Its IUPAC name is 4-chloro-N-(6-fluoro-3-pyridinyl)-3-(4-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(6-fluoro-3-pyridinyl)-3-(4-phenylphenyl)benzamide
PubChem CID11589463
Molecular FormulaC24H16ClFN2O
Molecular Weight402.86 g/mol
Exact Mass402.09
IUPAC Name4-chloro-N-(6-fluoro-3-pyridinyl)-3-(4-phenylphenyl)benzamide
SMILESO=C(Nc1ccc(F)nc1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H16ClFN2O/c25-22-12-10-19(24(29)28-20-11-13-23(26)27-15-20)14-21(22)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-15H,(H,28,29)
InChIKeyNVGKAWGGCNVRPU-UHFFFAOYSA-N
XLogP6.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.86
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-fluoro-3-pyridinyl)-3-(4-phenylphenyl)benzamide?
The IUPAC name of 4-chloro-N-(6-fluoro-3-pyridinyl)-3-(4-phenylphenyl)benzamide (CID 11589463) is 4-chloro-N-(6-fluoro-3-pyridinyl)-3-(4-phenylphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(6-fluoro-3-pyridinyl)-3-(4-phenylphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(6-fluoro-3-pyridinyl)-3-(4-phenylphenyl)benzamide is O=C(Nc1ccc(F)nc1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 4-chloro-N-(6-fluoro-3-pyridinyl)-3-(4-phenylphenyl)benzamide?
The InChIKey is NVGKAWGGCNVRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN2O/c25-22-12-10-19(24(29)28-20-11-13-23(26)27-15-20)14-21(22)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-15H,(H,28,29).
What are the key properties of 4-chloro-N-(6-fluoro-3-pyridinyl)-3-(4-phenylphenyl)benzamide?
4-chloro-N-(6-fluoro-3-pyridinyl)-3-(4-phenylphenyl)benzamide has a molecular weight of 402.86 g/mol, XLogP of 6.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-fluoro-3-pyridinyl)-3-(4-phenylphenyl)benzamide is sourced from PubChem (CID 11589463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).