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

C13H11F2N3O — CID 122263261

IUPAC2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(F)cc2F)ncn1
InChIInChI=1S/C13H11F2N3O/c1-8-4-10(18-7-17-8)6-16-13(19)11-3-2-9(14)5-12(11)15/h2-5,7H,6H2,1H3,(H,16,19)
InChIKeyLGCDJUYEMSTWAT-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.99
Rot. Bonds3

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

2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide (PubChem CID 122263261) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
PubChem CID122263261
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(F)cc2F)ncn1
InChIInChI=1S/C13H11F2N3O/c1-8-4-10(18-7-17-8)6-16-13(19)11-3-2-9(14)5-12(11)15/h2-5,7H,6H2,1H3,(H,16,19)
InChIKeyLGCDJUYEMSTWAT-UHFFFAOYSA-N
XLogP1.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-difluorophenyl)-N-[(6-methylpyrimidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 122263488
2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 70846240
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122263272
2,6-dimethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263254
N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263436
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 34485300
2-(4-methylbenzoyl)-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263270
2,2,2-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263474
N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-difluorobenzamide
CID 90536053
N-[(6-methylpyrimidin-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 122263448
2-(2-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263387

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide (CID 122263261) is 2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide is Cc1cc(CNC(=O)c2ccc(F)cc2F)ncn1.
What is the InChIKey of 2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is LGCDJUYEMSTWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c1-8-4-10(18-7-17-8)6-16-13(19)11-3-2-9(14)5-12(11)15/h2-5,7H,6H2,1H3,(H,16,19).
What are the key properties of 2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide?
2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 263.25 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 122263261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).