4-fluoro-N-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide

C17H10F4N4O2S — CID 1263771

IUPAC4-fluoro-N-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccc(F)cc1)Nc1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H10F4N4O2S/c18-10-5-3-9(4-6-10)14(26)24-16(27)25-15-22-11(12-2-1-7-28-12)8-13(23-15)17(19,20)21/h1-8H,(H2,22,23,24,25,26,27)
InChIKeyVLTFUABQWJQXOS-UHFFFAOYSA-N
MW410.35 g/mol
LogP4.32
Rot. Bonds3

About 4-fluoro-N-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide

4-fluoro-N-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide (PubChem CID 1263771) has the molecular formula C17H10F4N4O2S and a molecular weight of 410.35 g/mol. Its IUPAC name is 4-fluoro-N-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide
PubChem CID1263771
Molecular FormulaC17H10F4N4O2S
Molecular Weight410.35 g/mol
Exact Mass410.05
IUPAC Name4-fluoro-N-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccc(F)cc1)Nc1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H10F4N4O2S/c18-10-5-3-9(4-6-10)14(26)24-16(27)25-15-22-11(12-2-1-7-28-12)8-13(23-15)17(19,20)21/h1-8H,(H2,22,23,24,25,26,27)
InChIKeyVLTFUABQWJQXOS-UHFFFAOYSA-N
XLogP4.32
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide?
The IUPAC name of 4-fluoro-N-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide (CID 1263771) is 4-fluoro-N-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide is O=C(NC(=O)c1ccc(F)cc1)Nc1nc(-c2cccs2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-fluoro-N-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide?
The InChIKey is VLTFUABQWJQXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N4O2S/c18-10-5-3-9(4-6-10)14(26)24-16(27)25-15-22-11(12-2-1-7-28-12)8-13(23-15)17(19,20)21/h1-8H,(H2,22,23,24,25,26,27).
What are the key properties of 4-fluoro-N-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide?
4-fluoro-N-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide has a molecular weight of 410.35 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide is sourced from PubChem (CID 1263771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).