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

C18H11F4N3O2 — CID 58337603

IUPACN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H11F4N3O2/c19-13-5-14(7-15(6-13)27-16-8-23-10-24-9-16)25-17(26)11-2-1-3-12(4-11)18(20,21)22/h1-10H,(H,25,26)
InChIKeyMVTXTCTVKGESJA-UHFFFAOYSA-N
MW377.30 g/mol
LogP4.68
Rot. Bonds4

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

N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethyl)benzamide (PubChem CID 58337603) has the molecular formula C18H11F4N3O2 and a molecular weight of 377.30 g/mol. Its IUPAC name is N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethyl)benzamide
PubChem CID58337603
Molecular FormulaC18H11F4N3O2
Molecular Weight377.30 g/mol
Exact Mass377.08
IUPAC NameN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H11F4N3O2/c19-13-5-14(7-15(6-13)27-16-8-23-10-24-9-16)25-17(26)11-2-1-3-12(4-11)18(20,21)22/h1-10H,(H,25,26)
InChIKeyMVTXTCTVKGESJA-UHFFFAOYSA-N
XLogP4.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-4-[[4-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 72724930
3-fluoro-N-[2-methyl-5-(2-morpholin-4-ylethoxy)phenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 137657103
2-(3-methoxy-phenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid, N-benzylamide
CID 10453719
N-(3-(3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)-3-(trifluoro-methoxy)benzamide
CID 44133722
3-isopropyl-N-(3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)phenyl)benzamide
CID 44440297
N-(4-fluoro-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)phenyl)-3-isopropylbenzamide
CID 44440298
3-isopropyl-N-(3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)-5-(trifluoromethyl)phenyl)benzamide
CID 44440299
N-(4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)phenyl)-3-(trifluoromethyl)benzamide
CID 44440302
N-(3-((5-Methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy)phenyl)benzamide
CID 52947137
3-fluoro-N-(5-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936731
3-fluoro-N-(6-methoxy-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936736
3-fluoro-5-pyrimidin-5-yloxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 69936803

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethyl)benzamide (CID 58337603) is N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethyl)benzamide is O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is MVTXTCTVKGESJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N3O2/c19-13-5-14(7-15(6-13)27-16-8-23-10-24-9-16)25-17(26)11-2-1-3-12(4-11)18(20,21)22/h1-10H,(H,25,26).
What are the key properties of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethyl)benzamide?
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethyl)benzamide has a molecular weight of 377.30 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 58337603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).