N-(3-chloro-4-fluorophenyl)-4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide

C23H14ClF2N3O2 — CID 53011482

IUPACN-(3-chloro-4-fluorophenyl)-4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(Oc2ccnc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H14ClF2N3O2/c24-19-13-17(7-10-20(19)26)28-23(30)15-3-8-18(9-4-15)31-21-11-12-27-22(29-21)14-1-5-16(25)6-2-14/h1-13H,(H,28,30)
InChIKeyJSFKMFINNRXEEF-UHFFFAOYSA-N
MW437.83 g/mol
LogP6.12
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide

N-(3-chloro-4-fluorophenyl)-4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide (PubChem CID 53011482) has the molecular formula C23H14ClF2N3O2 and a molecular weight of 437.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide
PubChem CID53011482
Molecular FormulaC23H14ClF2N3O2
Molecular Weight437.83 g/mol
Exact Mass437.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(Oc2ccnc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H14ClF2N3O2/c24-19-13-17(7-10-20(19)26)28-23(30)15-3-8-18(9-4-15)31-21-11-12-27-22(29-21)14-1-5-16(25)6-2-14/h1-13H,(H,28,30)
InChIKeyJSFKMFINNRXEEF-UHFFFAOYSA-N
XLogP6.12
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.83
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide (CID 53011482) is N-(3-chloro-4-fluorophenyl)-4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Oc2ccnc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
The InChIKey is JSFKMFINNRXEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF2N3O2/c24-19-13-17(7-10-20(19)26)28-23(30)15-3-8-18(9-4-15)31-21-11-12-27-22(29-21)14-1-5-16(25)6-2-14/h1-13H,(H,28,30).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
N-(3-chloro-4-fluorophenyl)-4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide has a molecular weight of 437.83 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 53011482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).