3-chloro-N-(4-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide

C16H10ClFN4O2 — CID 67236730

IUPAC3-chloro-N-(4-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
SMILESO=C(Nc1cc(F)ccn1)c1cc(Cl)cc(Oc2cncnc2)c1
InChIInChI=1S/C16H10ClFN4O2/c17-11-3-10(16(23)22-15-6-12(18)1-2-21-15)4-13(5-11)24-14-7-19-9-20-8-14/h1-9H,(H,21,22,23)
InChIKeyLBLUQLJKQZGYIW-UHFFFAOYSA-N
MW344.73 g/mol
LogP3.71
Rot. Bonds4

About 3-chloro-N-(4-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide

3-chloro-N-(4-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide (PubChem CID 67236730) has the molecular formula C16H10ClFN4O2 and a molecular weight of 344.73 g/mol. Its IUPAC name is 3-chloro-N-(4-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(4-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
PubChem CID67236730
Molecular FormulaC16H10ClFN4O2
Molecular Weight344.73 g/mol
Exact Mass344.05
IUPAC Name3-chloro-N-(4-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
SMILESO=C(Nc1cc(F)ccn1)c1cc(Cl)cc(Oc2cncnc2)c1
InChIInChI=1S/C16H10ClFN4O2/c17-11-3-10(16(23)22-15-6-12(18)1-2-21-15)4-13(5-11)24-14-7-19-9-20-8-14/h1-9H,(H,21,22,23)
InChIKeyLBLUQLJKQZGYIW-UHFFFAOYSA-N
XLogP3.71
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.73
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide?
The IUPAC name of 3-chloro-N-(4-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide (CID 67236730) is 3-chloro-N-(4-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide.
What is the SMILES notation for 3-chloro-N-(4-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide?
The canonical SMILES for 3-chloro-N-(4-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide is O=C(Nc1cc(F)ccn1)c1cc(Cl)cc(Oc2cncnc2)c1.
What is the InChIKey of 3-chloro-N-(4-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide?
The InChIKey is LBLUQLJKQZGYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN4O2/c17-11-3-10(16(23)22-15-6-12(18)1-2-21-15)4-13(5-11)24-14-7-19-9-20-8-14/h1-9H,(H,21,22,23).
What are the key properties of 3-chloro-N-(4-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide?
3-chloro-N-(4-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide has a molecular weight of 344.73 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide is sourced from PubChem (CID 67236730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).