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

C18H13F2N3O — CID 122261961

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 Name2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
PubChem CID122261961
Molecular FormulaC18H13F2N3O
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name2,6-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
XLogP3.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122262058
2-(2-fluorophenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261805
2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261778
N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 122261812
3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261935
2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 122261802
2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262955
2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]chromene-3-carboxamide
CID 122261785
2,4-dioxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyrimidine-6-carboxamide
CID 122262021
3-(2,4-difluorophenyl)-1-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]pyrazole-5-carboxamide
CID 122262091
2-chloro-5-nitro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261794
N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide
CID 122261740

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).