3-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide

C17H11ClFN3O2 — CID 58337619

IUPAC3-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide
SMILESO=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cccc(Cl)c1
InChIInChI=1S/C17H11ClFN3O2/c18-12-3-1-2-11(4-12)17(23)22-14-5-13(19)6-15(7-14)24-16-8-20-10-21-9-16/h1-10H,(H,22,23)
InChIKeyBHWJVKQSJVVJHJ-UHFFFAOYSA-N
MW343.75 g/mol
LogP4.31
Rot. Bonds4

About 3-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide

3-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide (PubChem CID 58337619) has the molecular formula C17H11ClFN3O2 and a molecular weight of 343.75 g/mol. Its IUPAC name is 3-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide
PubChem CID58337619
Molecular FormulaC17H11ClFN3O2
Molecular Weight343.75 g/mol
Exact Mass343.05
IUPAC Name3-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide
SMILESO=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cccc(Cl)c1
InChIInChI=1S/C17H11ClFN3O2/c18-12-3-1-2-11(4-12)17(23)22-14-5-13(19)6-15(7-14)24-16-8-20-10-21-9-16/h1-10H,(H,22,23)
InChIKeyBHWJVKQSJVVJHJ-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 3-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide?
The IUPAC name of 3-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide (CID 58337619) is 3-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide.
What is the SMILES notation for 3-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide?
The canonical SMILES for 3-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide is O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide?
The InChIKey is BHWJVKQSJVVJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O2/c18-12-3-1-2-11(4-12)17(23)22-14-5-13(19)6-15(7-14)24-16-8-20-10-21-9-16/h1-10H,(H,22,23).
What are the key properties of 3-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide?
3-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)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 3-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide is sourced from PubChem (CID 58337619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).