2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-6-fluorobenzamide

C23H19ClFN5O2 — CID 122310357

About 2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-6-fluorobenzamide

2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-6-fluorobenzamide (PubChem CID 122310357) has the molecular formula C23H19ClFN5O2 and a molecular weight of 451.89 g/mol. Its IUPAC name is 2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-6-fluorobenzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-6-fluorobenzamide
• PubChem CID: 122310357
• Molecular Formula: C23H19ClFN5O2
• Molecular Weight: 451.89 g/mol
• Exact Mass: 451.12
• IUPAC Name: 2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-6-fluorobenzamide
• SMILES: Cc1cc(C)n(-c2cc(Oc3ccc(NC(=O)c4c(F)cccc4Cl)cc3)nc(C)n2)n1
• InChI: InChI=1S/C23H19ClFN5O2/c1-13-11-14(2)30(29-13)20-12-21(27-15(3)26-20)32-17-9-7-16(8-10-17)28-23(31)22-18(24)5-4-6-19(22)25/h4-12H,1-3H3,(H,28,31)
• InChIKey: LPDKERMBVXQFLC-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.89
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-6-fluorobenzamide?

The IUPAC name of 2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-6-fluorobenzamide (CID 122310357) is 2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-6-fluorobenzamide.

What is the SMILES notation for 2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-6-fluorobenzamide?

The canonical SMILES for 2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-6-fluorobenzamide is Cc1cc(C)n(-c2cc(Oc3ccc(NC(=O)c4c(F)cccc4Cl)cc3)nc(C)n2)n1.

What is the InChIKey of 2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-6-fluorobenzamide?

The InChIKey is LPDKERMBVXQFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5O2/c1-13-11-14(2)30(29-13)20-12-21(27-15(3)26-20)32-17-9-7-16(8-10-17)28-23(31)22-18(24)5-4-6-19(22)25/h4-12H,1-3H3,(H,28,31).

What are the key properties of 2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-6-fluorobenzamide?

2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-6-fluorobenzamide has a molecular weight of 451.89 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-6-fluorobenzamide is sourced from PubChem (CID 122310357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).