2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide

Name: 2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₃F₂N₃O — CID 122261961

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide

SMILESO=C(NCc1cc(-c2ccccc2)ncn1)c1c(F)cccc1F

InChIInChI=1S/C18H13F2N3O/c19-14-7-4-8-15(20)17(14)18(24)21-10-13-9-16(23-11-22-13)12-5-2-1-3-6-12/h1-9,11H,10H2,(H,21,24)

InChIKeyLNHRKFRBYNPNLC-UHFFFAOYSA-N

MW325.32 g/mol

LogP3.35

Rot. Bonds4

About 2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide

2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide (PubChem CID 122261961) has the molecular formula C₁₈H₁₃F₂N₃O and a molecular weight of 325.32 g/mol. Its IUPAC name is 2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name	2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
PubChem CID	122261961
Molecular Formula	C₁₈H₁₃F₂N₃O
Molecular Weight	325.32 g/mol
Exact Mass	325.10
IUPAC Name	2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
SMILES	O=C(NCc1cc(-c2ccccc2)ncn1)c1c(F)cccc1F
InChI	InChI=1S/C18H13F2N3O/c19-14-7-4-8-15(20)17(14)18(24)21-10-13-9-16(23-11-22-13)12-5-2-1-3-6-12/h1-9,11H,10H2,(H,21,24)
InChIKey	LNHRKFRBYNPNLC-UHFFFAOYSA-N
XLogP	3.35
TPSA	54.88 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.32
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide?

The IUPAC name of 2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide (CID 122261961) is 2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide.

What is the SMILES notation for 2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide?

The canonical SMILES for 2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide is O=C(NCc1cc(-c2ccccc2)ncn1)c1c(F)cccc1F.

What is the InChIKey of 2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide?

The InChIKey is LNHRKFRBYNPNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O/c19-14-7-4-8-15(20)17(14)18(24)21-10-13-9-16(23-11-22-13)12-5-2-1-3-6-12/h1-9,11H,10H2,(H,21,24).

What are the key properties of 2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide?

2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 325.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 122261961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 122261961 — identifiers, structure, computed properties (public domain)

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