5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide

C18H15FN4O2 — CID 10088487

IUPAC5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccc(-c2ccnc(Nc3cccc(F)c3)n2)cc1C(N)=O
InChIInChI=1S/C18H15FN4O2/c1-25-16-6-5-11(9-14(16)17(20)24)15-7-8-21-18(23-15)22-13-4-2-3-12(19)10-13/h2-10H,1H3,(H2,20,24)(H,21,22,23)
InChIKeyODCJIOIHHJYMTQ-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.13
Rot. Bonds5

About 5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide

5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide (PubChem CID 10088487) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide
PubChem CID10088487
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccc(-c2ccnc(Nc3cccc(F)c3)n2)cc1C(N)=O
InChIInChI=1S/C18H15FN4O2/c1-25-16-6-5-11(9-14(16)17(20)24)15-7-8-21-18(23-15)22-13-4-2-3-12(19)10-13/h2-10H,1H3,(H2,20,24)(H,21,22,23)
InChIKeyODCJIOIHHJYMTQ-UHFFFAOYSA-N
XLogP3.13
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide?
The IUPAC name of 5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide (CID 10088487) is 5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide?
The canonical SMILES for 5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide is COc1ccc(-c2ccnc(Nc3cccc(F)c3)n2)cc1C(N)=O.
What is the InChIKey of 5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide?
The InChIKey is ODCJIOIHHJYMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-25-16-6-5-11(9-14(16)17(20)24)15-7-8-21-18(23-15)22-13-4-2-3-12(19)10-13/h2-10H,1H3,(H2,20,24)(H,21,22,23).
What are the key properties of 5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide?
5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide has a molecular weight of 338.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 10088487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).