2-chloro-6-fluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide

C16H11ClFN3O2 — CID 22579996

IUPAC2-chloro-6-fluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H11ClFN3O2/c1-9-14(16(23)21-8-3-2-7-12(21)19-9)20-15(22)13-10(17)5-4-6-11(13)18/h2-8H,1H3,(H,20,22)
InChIKeyADTDFHCXAPUCPD-UHFFFAOYSA-N
MW331.73 g/mol
LogP3.05
Rot. Bonds2

About 2-chloro-6-fluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide

2-chloro-6-fluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide (PubChem CID 22579996) has the molecular formula C16H11ClFN3O2 and a molecular weight of 331.73 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
PubChem CID22579996
Molecular FormulaC16H11ClFN3O2
Molecular Weight331.73 g/mol
Exact Mass331.05
IUPAC Name2-chloro-6-fluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H11ClFN3O2/c1-9-14(16(23)21-8-3-2-7-12(21)19-9)20-15(22)13-10(17)5-4-6-11(13)18/h2-8H,1H3,(H,20,22)
InChIKeyADTDFHCXAPUCPD-UHFFFAOYSA-N
XLogP3.05
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide (CID 22579996) is 2-chloro-6-fluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide is Cc1nc2ccccn2c(=O)c1NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The InChIKey is ADTDFHCXAPUCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O2/c1-9-14(16(23)21-8-3-2-7-12(21)19-9)20-15(22)13-10(17)5-4-6-11(13)18/h2-8H,1H3,(H,20,22).
What are the key properties of 2-chloro-6-fluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
2-chloro-6-fluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide has a molecular weight of 331.73 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide is sourced from PubChem (CID 22579996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).