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

C25H18ClFN2O2 — CID 11633418

IUPAC4-chloro-3-(3-fluoro-4-phenylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4ccccc4)c(F)c3)c2)cn1
InChIInChI=1S/C25H18ClFN2O2/c1-31-24-12-9-19(15-28-24)29-25(30)18-8-11-22(26)21(13-18)17-7-10-20(23(27)14-17)16-5-3-2-4-6-16/h2-15H,1H3,(H,29,30)
InChIKeyYGYSLIONBQWIKR-UHFFFAOYSA-N
MW432.88 g/mol
LogP6.47
Rot. Bonds5

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

4-chloro-3-(3-fluoro-4-phenylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide (PubChem CID 11633418) has the molecular formula C25H18ClFN2O2 and a molecular weight of 432.88 g/mol. Its IUPAC name is 4-chloro-3-(3-fluoro-4-phenylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(3-fluoro-4-phenylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide
PubChem CID11633418
Molecular FormulaC25H18ClFN2O2
Molecular Weight432.88 g/mol
Exact Mass432.10
IUPAC Name4-chloro-3-(3-fluoro-4-phenylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4ccccc4)c(F)c3)c2)cn1
InChIInChI=1S/C25H18ClFN2O2/c1-31-24-12-9-19(15-28-24)29-25(30)18-8-11-22(26)21(13-18)17-7-10-20(23(27)14-17)16-5-3-2-4-6-16/h2-15H,1H3,(H,29,30)
InChIKeyYGYSLIONBQWIKR-UHFFFAOYSA-N
XLogP6.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.88
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-fluoro-4-phenylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 4-chloro-3-(3-fluoro-4-phenylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide (CID 11633418) is 4-chloro-3-(3-fluoro-4-phenylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 4-chloro-3-(3-fluoro-4-phenylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 4-chloro-3-(3-fluoro-4-phenylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide is COc1ccc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4ccccc4)c(F)c3)c2)cn1.
What is the InChIKey of 4-chloro-3-(3-fluoro-4-phenylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide?
The InChIKey is YGYSLIONBQWIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClFN2O2/c1-31-24-12-9-19(15-28-24)29-25(30)18-8-11-22(26)21(13-18)17-7-10-20(23(27)14-17)16-5-3-2-4-6-16/h2-15H,1H3,(H,29,30).
What are the key properties of 4-chloro-3-(3-fluoro-4-phenylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide?
4-chloro-3-(3-fluoro-4-phenylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide has a molecular weight of 432.88 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-fluoro-4-phenylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 11633418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).