2-chloro-6-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzamide

C20H14ClFN4O2 — CID 7080279

IUPAC2-chloro-6-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzamide
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C20H14ClFN4O2/c1-28-17-7-6-12(16-11-26-9-3-8-23-20(26)25-16)10-15(17)24-19(27)18-13(21)4-2-5-14(18)22/h2-11H,1H3,(H,24,27)
InChIKeyGEEZUQWJDZWZTM-UHFFFAOYSA-N
MW396.81 g/mol
LogP4.45
Rot. Bonds4

About 2-chloro-6-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzamide

2-chloro-6-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzamide (PubChem CID 7080279) has the molecular formula C20H14ClFN4O2 and a molecular weight of 396.81 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzamide
PubChem CID7080279
Molecular FormulaC20H14ClFN4O2
Molecular Weight396.81 g/mol
Exact Mass396.08
IUPAC Name2-chloro-6-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzamide
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C20H14ClFN4O2/c1-28-17-7-6-12(16-11-26-9-3-8-23-20(26)25-16)10-15(17)24-19(27)18-13(21)4-2-5-14(18)22/h2-11H,1H3,(H,24,27)
InChIKeyGEEZUQWJDZWZTM-UHFFFAOYSA-N
XLogP4.45
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzamide (CID 7080279) is 2-chloro-6-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzamide is COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzamide?
The InChIKey is GEEZUQWJDZWZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O2/c1-28-17-7-6-12(16-11-26-9-3-8-23-20(26)25-16)10-15(17)24-19(27)18-13(21)4-2-5-14(18)22/h2-11H,1H3,(H,24,27).
What are the key properties of 2-chloro-6-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzamide?
2-chloro-6-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzamide has a molecular weight of 396.81 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzamide is sourced from PubChem (CID 7080279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).