4-fluoro-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide

C18H12F2N2O2 — CID 56680538

IUPAC4-fluoro-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide
SMILESO=C(Nc1cc(F)cc(Oc2cccnc2)c1)c1ccc(F)cc1
InChIInChI=1S/C18H12F2N2O2/c19-13-5-3-12(4-6-13)18(23)22-15-8-14(20)9-17(10-15)24-16-2-1-7-21-11-16/h1-11H,(H,22,23)
InChIKeyOVQKKVHPAKQSNA-UHFFFAOYSA-N
MW326.30 g/mol
LogP4.40
Rot. Bonds4

About 4-fluoro-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide

4-fluoro-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide (PubChem CID 56680538) has the molecular formula C18H12F2N2O2 and a molecular weight of 326.30 g/mol. Its IUPAC name is 4-fluoro-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide
PubChem CID56680538
Molecular FormulaC18H12F2N2O2
Molecular Weight326.30 g/mol
Exact Mass326.09
IUPAC Name4-fluoro-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide
SMILESO=C(Nc1cc(F)cc(Oc2cccnc2)c1)c1ccc(F)cc1
InChIInChI=1S/C18H12F2N2O2/c19-13-5-3-12(4-6-13)18(23)22-15-8-14(20)9-17(10-15)24-16-2-1-7-21-11-16/h1-11H,(H,22,23)
InChIKeyOVQKKVHPAKQSNA-UHFFFAOYSA-N
XLogP4.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide?
The IUPAC name of 4-fluoro-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide (CID 56680538) is 4-fluoro-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide?
The canonical SMILES for 4-fluoro-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide is O=C(Nc1cc(F)cc(Oc2cccnc2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide?
The InChIKey is OVQKKVHPAKQSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O2/c19-13-5-3-12(4-6-13)18(23)22-15-8-14(20)9-17(10-15)24-16-2-1-7-21-11-16/h1-11H,(H,22,23).
What are the key properties of 4-fluoro-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide?
4-fluoro-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide has a molecular weight of 326.30 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide is sourced from PubChem (CID 56680538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).