N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethoxy)benzamide

C18H11F4N3O3 — CID 58337427

IUPACN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H11F4N3O3/c19-12-5-13(7-15(6-12)27-16-8-23-10-24-9-16)25-17(26)11-2-1-3-14(4-11)28-18(20,21)22/h1-10H,(H,25,26)
InChIKeyRDYMYZWXJAHVEC-UHFFFAOYSA-N
MW393.30 g/mol
LogP4.56
Rot. Bonds5

About N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethoxy)benzamide

N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethoxy)benzamide (PubChem CID 58337427) has the molecular formula C18H11F4N3O3 and a molecular weight of 393.30 g/mol. Its IUPAC name is N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethoxy)benzamide
PubChem CID58337427
Molecular FormulaC18H11F4N3O3
Molecular Weight393.30 g/mol
Exact Mass393.07
IUPAC NameN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H11F4N3O3/c19-12-5-13(7-15(6-12)27-16-8-23-10-24-9-16)25-17(26)11-2-1-3-14(4-11)28-18(20,21)22/h1-10H,(H,25,26)
InChIKeyRDYMYZWXJAHVEC-UHFFFAOYSA-N
XLogP4.56
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethoxy)benzamide (CID 58337427) is N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethoxy)benzamide is O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethoxy)benzamide?
The InChIKey is RDYMYZWXJAHVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N3O3/c19-12-5-13(7-15(6-12)27-16-8-23-10-24-9-16)25-17(26)11-2-1-3-14(4-11)28-18(20,21)22/h1-10H,(H,25,26).
What are the key properties of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethoxy)benzamide?
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethoxy)benzamide has a molecular weight of 393.30 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 58337427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).