5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-hydroxybenzamide

C17H13FN4O2 — CID 135503645

IUPAC5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-hydroxybenzamide
SMILESNC(=O)c1cc(-c2ccnc(Nc3ccc(F)cc3)n2)ccc1O
InChIInChI=1S/C17H13FN4O2/c18-11-2-4-12(5-3-11)21-17-20-8-7-14(22-17)10-1-6-15(23)13(9-10)16(19)24/h1-9,23H,(H2,19,24)(H,20,21,22)
InChIKeyCKDJBPLNHLGURZ-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.83
Rot. Bonds4

About 5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-hydroxybenzamide

5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-hydroxybenzamide (PubChem CID 135503645) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is 5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-hydroxybenzamide
PubChem CID135503645
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-hydroxybenzamide
SMILESNC(=O)c1cc(-c2ccnc(Nc3ccc(F)cc3)n2)ccc1O
InChIInChI=1S/C17H13FN4O2/c18-11-2-4-12(5-3-11)21-17-20-8-7-14(22-17)10-1-6-15(23)13(9-10)16(19)24/h1-9,23H,(H2,19,24)(H,20,21,22)
InChIKeyCKDJBPLNHLGURZ-UHFFFAOYSA-N
XLogP2.83
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-hydroxybenzamide?
The IUPAC name of 5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-hydroxybenzamide (CID 135503645) is 5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-hydroxybenzamide is NC(=O)c1cc(-c2ccnc(Nc3ccc(F)cc3)n2)ccc1O.
What is the InChIKey of 5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-hydroxybenzamide?
The InChIKey is CKDJBPLNHLGURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c18-11-2-4-12(5-3-11)21-17-20-8-7-14(22-17)10-1-6-15(23)13(9-10)16(19)24/h1-9,23H,(H2,19,24)(H,20,21,22).
What are the key properties of 5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-hydroxybenzamide?
5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-hydroxybenzamide has a molecular weight of 324.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 135503645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).