4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]benzamide

C23H17FN4O2 — CID 90329811

IUPAC4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)cc1
InChIInChI=1S/C23H17FN4O2/c24-20-11-15(7-10-18(20)16-12-27-23(26)28-13-16)19-3-1-2-4-21(19)30-17-8-5-14(6-9-17)22(25)29/h1-13H,(H2,25,29)(H2,26,27,28)
InChIKeyCBWXHAORGSMPRK-UHFFFAOYSA-N
MW400.41 g/mol
LogP4.42
Rot. Bonds5

About 4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]benzamide

4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]benzamide (PubChem CID 90329811) has the molecular formula C23H17FN4O2 and a molecular weight of 400.41 g/mol. Its IUPAC name is 4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]benzamide
PubChem CID90329811
Molecular FormulaC23H17FN4O2
Molecular Weight400.41 g/mol
Exact Mass400.13
IUPAC Name4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)cc1
InChIInChI=1S/C23H17FN4O2/c24-20-11-15(7-10-18(20)16-12-27-23(26)28-13-16)19-3-1-2-4-21(19)30-17-8-5-14(6-9-17)22(25)29/h1-13H,(H2,25,29)(H2,26,27,28)
InChIKeyCBWXHAORGSMPRK-UHFFFAOYSA-N
XLogP4.42
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]benzamide?
The IUPAC name of 4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]benzamide (CID 90329811) is 4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]benzamide.
What is the SMILES notation for 4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]benzamide?
The canonical SMILES for 4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]benzamide is NC(=O)c1ccc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)cc1.
What is the InChIKey of 4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]benzamide?
The InChIKey is CBWXHAORGSMPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O2/c24-20-11-15(7-10-18(20)16-12-27-23(26)28-13-16)19-3-1-2-4-21(19)30-17-8-5-14(6-9-17)22(25)29/h1-13H,(H2,25,29)(H2,26,27,28).
What are the key properties of 4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]benzamide?
4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]benzamide has a molecular weight of 400.41 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]benzamide is sourced from PubChem (CID 90329811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).