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N-[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenoxy]pyrimidin-4-yl]acetamide

C21H18FN3O3 — CID 58272874

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenoxy]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(CC(=O)Cc3ccc(F)cc3)cc2)ncn1
InChIInChI=1S/C21H18FN3O3/c1-14(26)25-20-12-21(24-13-23-20)28-19-8-4-16(5-9-19)11-18(27)10-15-2-6-17(22)7-3-15/h2-9,12-13H,10-11H2,1H3,(H,23,24,25,26)
InChIKeyYUJUDSNYEAANAS-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.72
Rot. Bonds7

About N-[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenoxy]pyrimidin-4-yl]acetamide

N-[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenoxy]pyrimidin-4-yl]acetamide (PubChem CID 58272874) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is N-[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenoxy]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenoxy]pyrimidin-4-yl]acetamide
PubChem CID58272874
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC NameN-[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenoxy]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(CC(=O)Cc3ccc(F)cc3)cc2)ncn1
InChIInChI=1S/C21H18FN3O3/c1-14(26)25-20-12-21(24-13-23-20)28-19-8-4-16(5-9-19)11-18(27)10-15-2-6-17(22)7-3-15/h2-9,12-13H,10-11H2,1H3,(H,23,24,25,26)
InChIKeyYUJUDSNYEAANAS-UHFFFAOYSA-N
XLogP3.72
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenoxy]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenoxy]pyrimidin-4-yl]acetamide (CID 58272874) is N-[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenoxy]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenoxy]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenoxy]pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(Oc2ccc(CC(=O)Cc3ccc(F)cc3)cc2)ncn1.
What is the InChIKey of N-[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenoxy]pyrimidin-4-yl]acetamide?
The InChIKey is YUJUDSNYEAANAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c1-14(26)25-20-12-21(24-13-23-20)28-19-8-4-16(5-9-19)11-18(27)10-15-2-6-17(22)7-3-15/h2-9,12-13H,10-11H2,1H3,(H,23,24,25,26).
What are the key properties of N-[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenoxy]pyrimidin-4-yl]acetamide?
N-[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenoxy]pyrimidin-4-yl]acetamide has a molecular weight of 379.39 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenoxy]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 58272874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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