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

C18H14F2N4O2 — CID 10338326

IUPAC5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccc(-c2ccnc(Nc3ccc(F)c(F)c3)n2)cc1C(N)=O
InChIInChI=1S/C18H14F2N4O2/c1-26-16-5-2-10(8-12(16)17(21)25)15-6-7-22-18(24-15)23-11-3-4-13(19)14(20)9-11/h2-9H,1H3,(H2,21,25)(H,22,23,24)
InChIKeyKQEZLKRDKYHPEI-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.27
Rot. Bonds5

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

5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide (PubChem CID 10338326) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is 5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide
PubChem CID10338326
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccc(-c2ccnc(Nc3ccc(F)c(F)c3)n2)cc1C(N)=O
InChIInChI=1S/C18H14F2N4O2/c1-26-16-5-2-10(8-12(16)17(21)25)15-6-7-22-18(24-15)23-11-3-4-13(19)14(20)9-11/h2-9H,1H3,(H2,21,25)(H,22,23,24)
InChIKeyKQEZLKRDKYHPEI-UHFFFAOYSA-N
XLogP3.27
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide?
The IUPAC name of 5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide (CID 10338326) is 5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide?
The canonical SMILES for 5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide is COc1ccc(-c2ccnc(Nc3ccc(F)c(F)c3)n2)cc1C(N)=O.
What is the InChIKey of 5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide?
The InChIKey is KQEZLKRDKYHPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c1-26-16-5-2-10(8-12(16)17(21)25)15-6-7-22-18(24-15)23-11-3-4-13(19)14(20)9-11/h2-9H,1H3,(H2,21,25)(H,22,23,24).
What are the key properties of 5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide?
5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide has a molecular weight of 356.33 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 10338326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).