3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-propylbenzamide

C20H18FN3O2 — CID 46388749

IUPAC3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C20H18FN3O2/c1-2-11-23-20(25)15-4-3-5-17(13-15)26-18-10-12-22-19(24-18)14-6-8-16(21)9-7-14/h3-10,12-13H,2,11H2,1H3,(H,23,25)
InChIKeyHMFJUMZRJTWYNI-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.21
Rot. Bonds6

About 3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-propylbenzamide

3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-propylbenzamide (PubChem CID 46388749) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-propylbenzamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-propylbenzamide
PubChem CID46388749
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C20H18FN3O2/c1-2-11-23-20(25)15-4-3-5-17(13-15)26-18-10-12-22-19(24-18)14-6-8-16(21)9-7-14/h3-10,12-13H,2,11H2,1H3,(H,23,25)
InChIKeyHMFJUMZRJTWYNI-UHFFFAOYSA-N
XLogP4.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-propylbenzamide?
The IUPAC name of 3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-propylbenzamide (CID 46388749) is 3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-propylbenzamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-propylbenzamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-propylbenzamide is CCCNC(=O)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of 3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-propylbenzamide?
The InChIKey is HMFJUMZRJTWYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-2-11-23-20(25)15-4-3-5-17(13-15)26-18-10-12-22-19(24-18)14-6-8-16(21)9-7-14/h3-10,12-13H,2,11H2,1H3,(H,23,25).
What are the key properties of 3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-propylbenzamide?
3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-propylbenzamide has a molecular weight of 351.38 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-propylbenzamide is sourced from PubChem (CID 46388749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).