2-chloro-6-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide

C17H11ClFN3O2 — CID 71799767

IUPAC2-chloro-6-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(Oc2ccccc2)nc1)c1c(F)cccc1Cl
InChIInChI=1S/C17H11ClFN3O2/c18-13-7-4-8-14(19)15(13)16(23)22-11-9-20-17(21-10-11)24-12-5-2-1-3-6-12/h1-10H,(H,22,23)
InChIKeyXXQOSCRRNXSQAX-UHFFFAOYSA-N
MW343.75 g/mol
LogP4.31
Rot. Bonds4

About 2-chloro-6-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide

2-chloro-6-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide (PubChem CID 71799767) has the molecular formula C17H11ClFN3O2 and a molecular weight of 343.75 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide
PubChem CID71799767
Molecular FormulaC17H11ClFN3O2
Molecular Weight343.75 g/mol
Exact Mass343.05
IUPAC Name2-chloro-6-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(Oc2ccccc2)nc1)c1c(F)cccc1Cl
InChIInChI=1S/C17H11ClFN3O2/c18-13-7-4-8-14(19)15(13)16(23)22-11-9-20-17(21-10-11)24-12-5-2-1-3-6-12/h1-10H,(H,22,23)
InChIKeyXXQOSCRRNXSQAX-UHFFFAOYSA-N
XLogP4.31
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.75
LogP ≤ 54.31
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-phenoxypyrimidin-5-yl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide (CID 71799767) is 2-chloro-6-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide is O=C(Nc1cnc(Oc2ccccc2)nc1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide?
The InChIKey is XXQOSCRRNXSQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O2/c18-13-7-4-8-14(19)15(13)16(23)22-11-9-20-17(21-10-11)24-12-5-2-1-3-6-12/h1-10H,(H,22,23).
What are the key properties of 2-chloro-6-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide?
2-chloro-6-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide has a molecular weight of 343.75 g/mol, XLogP of 4.31, 4 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-phenoxypyrimidin-5-yl)benzamide is sourced from PubChem (CID 71799767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).