5-chloro-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide

C16H10ClFN4O2 — CID 51038162

IUPAC5-chloro-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
SMILESO=C(Nc1cncc(Oc2cncnc2)c1)c1cc(Cl)ccc1F
InChIInChI=1S/C16H10ClFN4O2/c17-10-1-2-15(18)14(3-10)16(23)22-11-4-12(6-19-5-11)24-13-7-20-9-21-8-13/h1-9H,(H,22,23)
InChIKeyGBIKVRMQUHZOBO-UHFFFAOYSA-N
MW344.73 g/mol
LogP3.71
Rot. Bonds4

About 5-chloro-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide

5-chloro-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide (PubChem CID 51038162) has the molecular formula C16H10ClFN4O2 and a molecular weight of 344.73 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
PubChem CID51038162
Molecular FormulaC16H10ClFN4O2
Molecular Weight344.73 g/mol
Exact Mass344.05
IUPAC Name5-chloro-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
SMILESO=C(Nc1cncc(Oc2cncnc2)c1)c1cc(Cl)ccc1F
InChIInChI=1S/C16H10ClFN4O2/c17-10-1-2-15(18)14(3-10)16(23)22-11-4-12(6-19-5-11)24-13-7-20-9-21-8-13/h1-9H,(H,22,23)
InChIKeyGBIKVRMQUHZOBO-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 5-chloro-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide (CID 51038162) is 5-chloro-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide is O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide?
The InChIKey is GBIKVRMQUHZOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN4O2/c17-10-1-2-15(18)14(3-10)16(23)22-11-4-12(6-19-5-11)24-13-7-20-9-21-8-13/h1-9H,(H,22,23).
What are the key properties of 5-chloro-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide?
5-chloro-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide 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 5-chloro-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide is sourced from PubChem (CID 51038162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).