2-chloro-6-fluoro-N-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]benzamide

C24H17ClFN3O — CID 25183734

IUPAC2-chloro-6-fluoro-N-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]benzamide
SMILESCc1ccc(-c2cccnc2)cc1-c1ccc(NC(=O)c2c(F)cccc2Cl)nc1
InChIInChI=1S/C24H17ClFN3O/c1-15-7-8-16(17-4-3-11-27-13-17)12-19(15)18-9-10-22(28-14-18)29-24(30)23-20(25)5-2-6-21(23)26/h2-14H,1H3,(H,28,29,30)
InChIKeyOMFVKCGPMPBHSJ-UHFFFAOYSA-N
MW417.87 g/mol
LogP6.16
Rot. Bonds4

About 2-chloro-6-fluoro-N-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]benzamide

2-chloro-6-fluoro-N-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]benzamide (PubChem CID 25183734) has the molecular formula C24H17ClFN3O and a molecular weight of 417.87 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]benzamide
PubChem CID25183734
Molecular FormulaC24H17ClFN3O
Molecular Weight417.87 g/mol
Exact Mass417.10
IUPAC Name2-chloro-6-fluoro-N-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]benzamide
SMILESCc1ccc(-c2cccnc2)cc1-c1ccc(NC(=O)c2c(F)cccc2Cl)nc1
InChIInChI=1S/C24H17ClFN3O/c1-15-7-8-16(17-4-3-11-27-13-17)12-19(15)18-9-10-22(28-14-18)29-24(30)23-20(25)5-2-6-21(23)26/h2-14H,1H3,(H,28,29,30)
InChIKeyOMFVKCGPMPBHSJ-UHFFFAOYSA-N
XLogP6.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.87
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]benzamide (CID 25183734) is 2-chloro-6-fluoro-N-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]benzamide is Cc1ccc(-c2cccnc2)cc1-c1ccc(NC(=O)c2c(F)cccc2Cl)nc1.
What is the InChIKey of 2-chloro-6-fluoro-N-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]benzamide?
The InChIKey is OMFVKCGPMPBHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3O/c1-15-7-8-16(17-4-3-11-27-13-17)12-19(15)18-9-10-22(28-14-18)29-24(30)23-20(25)5-2-6-21(23)26/h2-14H,1H3,(H,28,29,30).
What are the key properties of 2-chloro-6-fluoro-N-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]benzamide?
2-chloro-6-fluoro-N-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]benzamide has a molecular weight of 417.87 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 25183734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).