N-tert-butyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide

C21H20FN3O2 — CID 53011524

IUPACN-tert-butyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide
SMILESCC(C)(C)NC(=O)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1
InChIInChI=1S/C21H20FN3O2/c1-21(2,3)25-20(26)15-5-4-6-17(11-15)27-19-12-18(23-13-24-19)14-7-9-16(22)10-8-14/h4-13H,1-3H3,(H,25,26)
InChIKeyWIJPFJNSMTUKCF-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.60
Rot. Bonds4

About N-tert-butyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide

N-tert-butyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide (PubChem CID 53011524) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-tert-butyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide
PubChem CID53011524
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-tert-butyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide
SMILESCC(C)(C)NC(=O)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1
InChIInChI=1S/C21H20FN3O2/c1-21(2,3)25-20(26)15-5-4-6-17(11-15)27-19-12-18(23-13-24-19)14-7-9-16(22)10-8-14/h4-13H,1-3H3,(H,25,26)
InChIKeyWIJPFJNSMTUKCF-UHFFFAOYSA-N
XLogP4.60
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
The IUPAC name of N-tert-butyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide (CID 53011524) is N-tert-butyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide.
What is the SMILES notation for N-tert-butyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
The canonical SMILES for N-tert-butyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide is CC(C)(C)NC(=O)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1.
What is the InChIKey of N-tert-butyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
The InChIKey is WIJPFJNSMTUKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-21(2,3)25-20(26)15-5-4-6-17(11-15)27-19-12-18(23-13-24-19)14-7-9-16(22)10-8-14/h4-13H,1-3H3,(H,25,26).
What are the key properties of N-tert-butyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
N-tert-butyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide has a molecular weight of 365.41 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 53011524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).